AromaDb: A Database of Plant's Aroma Molecules

Methyl guaiacol Details

: IUPAC Name
2-methoxyphenol
:Chemical Class
:CAS Registry Number
90-05-1
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID460
Molecular Weight (mg/mol)124.137
Molecular FormulaC7H8O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC Name2-methoxyphenol
Canonical SMILESCOc1ccccc1O
PUBCHEM IUPAC INCHIKEYLHGVFZTZFXWLCP-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-1.11

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA29.5
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.571
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.42586 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 90-05-1 IL6 Mus musculus 12-dehydrogingerdione inhibits the reaction [Lipopolysaccharides results in increased expression of IL6 protein] decreases^reaction|increases^expression 23027684
2 90-05-1 IL6 Mus musculus 12-dehydrogingerdione inhibits the reaction [Lipopolysaccharides results in increased expression of IL6 protein] decreases^reaction|increases^expression 23027684
3 90-05-1 NOS2 Mus musculus 12-dehydrogingerdione inhibits the reaction [Lipopolysaccharides results in increased expression of NOS2 mRNA] decreases^reaction|increases^expression 23027684
4 90-05-1 NOS2 Mus musculus 12-dehydrogingerdione inhibits the reaction [Lipopolysaccharides results in increased expression of NOS2 mRNA] decreases^reaction|increases^expression 23027684
5 90-05-1 PTGS2 Mus musculus 12-dehydrogingerdione inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2 mRNA] decreases^reaction|increases^expression 23027684
6 90-05-1 PTGS2 Mus musculus 12-dehydrogingerdione inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2 mRNA] decreases^reaction|increases^expression 23027684
7 90-05-1 PTGS2 Mus musculus 4,8-bis(4-hydroxy-3-methoxyphenyl)-3,7-dioxabicyclo(3.3.0)octane-2,6-dione inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2] decreases^reaction|increases^expression 16277019
8 90-05-1 PTGS2 Mus musculus 4,8-bis(4-hydroxy-3-methoxyphenyl)-3,7-dioxabicyclo(3.3.0)octane-2,6-dione inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2] decreases^reaction|increases^expression 16277019
9 90-05-1 ALB Homo sapiens 4-ethylguaiacol binds to ALB protein affects^binding 11334365
10 90-05-1 ALB Homo sapiens 4-ethylguaiacol binds to ALB protein affects^binding 11334365
11 90-05-1 ADIPOQ Mus musculus aza-(6)-gingerol inhibits the reaction [TNF protein results in decreased expression of ADIPOQ mRNA] decreases^expression|decreases^reaction 21851089
12 90-05-1 ADIPOQ Mus musculus aza-(6)-gingerol inhibits the reaction [TNF protein results in decreased expression of ADIPOQ mRNA] decreases^expression|decreases^reaction 21851089
13 90-05-1 INS1 Mus musculus aza-(6)-gingerol inhibits the reaction [Dietary Fats results in increased expression of INS1 protein] decreases^reaction|increases^expression 21851089
14 90-05-1 INS1 Mus musculus aza-(6)-gingerol inhibits the reaction [Dietary Fats results in increased expression of INS1 protein] decreases^reaction|increases^expression 21851089
15 90-05-1 LEP Mus musculus aza-(6)-gingerol inhibits the reaction [Dietary Fats results in increased expression of LEP mRNA] decreases^reaction|increases^expression 21851089
16 90-05-1 LEP Mus musculus aza-(6)-gingerol inhibits the reaction [Dietary Fats results in increased expression of LEP mRNA] decreases^reaction|increases^expression 21851089
17 90-05-1 LEP Mus musculus aza-(6)-gingerol inhibits the reaction [Dietary Fats results in increased expression of LEP protein] decreases^reaction|increases^expression 21851089
18 90-05-1 LEP Mus musculus aza-(6)-gingerol inhibits the reaction [Dietary Fats results in increased expression of LEP protein] decreases^reaction|increases^expression 21851089
19 90-05-1 SREBF1 Mus musculus [Dietary Fats co-treated with aza-(6)-gingerol] results in decreased expression of SREBF1 mRNA affects^cotreatment|decreases^expression 21851089
20 90-05-1 SREBF1 Mus musculus [Dietary Fats co-treated with aza-(6)-gingerol] results in decreased expression of SREBF1 mRNA affects^cotreatment|decreases^expression 21851089
21 90-05-1 IL1B Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of IL1B mRNA] decreases^reaction|increases^expression 16924582
22 90-05-1 IL1B Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of IL1B mRNA] decreases^reaction|increases^expression 16924582
23 90-05-1 IL1B Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of IL1B protein] decreases^reaction|increases^expression 16924582
24 90-05-1 IL1B Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of IL1B protein] decreases^reaction|increases^expression 16924582
25 90-05-1 IL6 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of IL6 mRNA] decreases^reaction|increases^expression 16924582
26 90-05-1 IL6 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of IL6 mRNA] decreases^reaction|increases^expression 16924582
27 90-05-1 IL6 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of IL6 protein] decreases^reaction|increases^expression 16924582
28 90-05-1 IL6 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of IL6 protein] decreases^reaction|increases^expression 16924582
29 90-05-1 NOS2 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of NOS2 mRNA] decreases^reaction|increases^expression 16924582
30 90-05-1 NOS2 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of NOS2 mRNA] decreases^reaction|increases^expression 16924582
31 90-05-1 NOS2 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of NOS2 protein] decreases^reaction|increases^expression 16924582
32 90-05-1 NOS2 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of NOS2 protein] decreases^reaction|increases^expression 16924582
33 90-05-1 PTGS2 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2 mRNA] decreases^reaction|increases^expression 16924582
34 90-05-1 PTGS2 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2 mRNA] decreases^reaction|increases^expression 16924582
35 90-05-1 PTGS2 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2 protein] decreases^reaction|increases^expression 16924582
36 90-05-1 PTGS2 Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2 protein] decreases^reaction|increases^expression 16924582
37 90-05-1 RELA Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased activity of RELA protein] decreases^reaction|increases^activity 16924582
38 90-05-1 RELA Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased activity of RELA protein] decreases^reaction|increases^activity 16924582
39 90-05-1 TNF Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of TNF mRNA] decreases^reaction|increases^expression 16924582
40 90-05-1 TNF Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of TNF mRNA] decreases^reaction|increases^expression 16924582
41 90-05-1 TNF Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of TNF protein] decreases^reaction|increases^expression 16924582
42 90-05-1 TNF Mus musculus gigantol inhibits the reaction [Lipopolysaccharides results in increased expression of TNF protein] decreases^reaction|increases^expression 16924582
43 90-05-1 AKR1B1 Cricetulus griseus Guaiacol metabolite results in increased activity of AKR1B1 protein increases^activity 14676331
44 90-05-1 AKR1B1 Cricetulus griseus Guaiacol metabolite results in increased activity of AKR1B1 protein increases^activity 14676331
45 90-05-1 ALB Homo sapiens Guaiacol binds to ALB protein affects^binding 11334365
46 90-05-1 ALB Homo sapiens Guaiacol binds to ALB protein affects^binding 11334365
47 90-05-1 CA1 Homo sapiens Guaiacol results in decreased activity of CA1 protein decreases^activity 19231207
48 90-05-1 CA1 Homo sapiens Guaiacol results in decreased activity of CA1 protein decreases^activity 19231207
49 90-05-1 CA2 Homo sapiens Guaiacol results in decreased activity of CA2 protein decreases^activity 19231207
50 90-05-1 CA2 Homo sapiens Guaiacol results in decreased activity of CA2 protein decreases^activity 19231207
51 90-05-1 GABRA1 Bos taurus Guaiacol promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein binds to GABRB1 protein]] affects^binding|increases^activity|increases^reaction 14664509
52 90-05-1 GABRA1 Bos taurus Guaiacol promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein binds to GABRB1 protein]] affects^binding|increases^activity|increases^reaction 14664509
53 90-05-1 PTGS2 Mus musculus Guaiacol inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2 mRNA] decreases^reaction|increases^expression 17465205
54 90-05-1 PTGS2 Mus musculus Guaiacol inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2 mRNA] decreases^reaction|increases^expression 17465205
55 90-05-1 CASP3 Homo sapiens tetrachloroguaiacol results in increased activity of CASP3 protein increases^activity 19766705
56 90-05-1 CASP3 Homo sapiens tetrachloroguaiacol results in increased activity of CASP3 protein increases^activity 19766705
57 90-05-1 AR Homo sapiens zingerone binds to and results in decreased activity of AR protein affects^binding|decreases^activity 20226658
58 90-05-1 AR Homo sapiens zingerone binds to and results in decreased activity of AR protein affects^binding|decreases^activity 20226658
59 90-05-1 BAX Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased expression of BAX protein] decreases^reaction|increases^expression 28442378
60 90-05-1 BAX Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased expression of BAX protein] decreases^reaction|increases^expression 28442378
61 90-05-1 BCL2 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in decreased expression of BCL2 protein] decreases^expression|decreases^reaction 28442378
62 90-05-1 BCL2 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in decreased expression of BCL2 protein] decreases^expression|decreases^reaction 28442378
63 90-05-1 CASP3 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased expression of CASP3 protein] decreases^reaction|increases^expression 28442378
64 90-05-1 CASP3 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased expression of CASP3 protein] decreases^reaction|increases^expression 28442378
65 90-05-1 CASP9 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased expression of CASP9 protein] decreases^reaction|increases^expression 28442378
66 90-05-1 CASP9 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased expression of CASP9 protein] decreases^reaction|increases^expression 28442378
67 90-05-1 CYB5A Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased activity of CYB5A protein] decreases^reaction|increases^activity 28442378
68 90-05-1 CYB5A Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased activity of CYB5A protein] decreases^reaction|increases^activity 28442378
69 90-05-1 CYB5R3 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased activity of CYB5R3 protein] decreases^reaction|increases^activity 28442378
70 90-05-1 CYB5R3 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased activity of CYB5R3 protein] decreases^reaction|increases^activity 28442378
71 90-05-1 CYP2E1 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased activity of CYP2E1 protein] decreases^reaction|increases^activity 28442378
72 90-05-1 CYP2E1 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased activity of CYP2E1 protein] decreases^reaction|increases^activity 28442378
73 90-05-1 HMGCR Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased activity of HMGCR protein] decreases^reaction|increases^activity 28442378
74 90-05-1 HMGCR Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased activity of HMGCR protein] decreases^reaction|increases^activity 28442378
75 90-05-1 LCAT Rattus norvegicus zingerone inhibits the reaction [Ethanol results in decreased activity of LCAT protein] decreases^activity|decreases^reaction 28442378
76 90-05-1 LCAT Rattus norvegicus zingerone inhibits the reaction [Ethanol results in decreased activity of LCAT protein] decreases^activity|decreases^reaction 28442378
77 90-05-1 LPL Rattus norvegicus zingerone inhibits the reaction [Ethanol results in decreased activity of LPL protein] decreases^activity|decreases^reaction 28442378
78 90-05-1 LPL Rattus norvegicus zingerone inhibits the reaction [Ethanol results in decreased activity of LPL protein] decreases^activity|decreases^reaction 28442378
79 90-05-1 NOS2 Rattus norvegicus zingerone results in decreased expression of NOS2 protein decreases^expression 20211236
80 90-05-1 NOS2 Rattus norvegicus zingerone results in decreased expression of NOS2 protein decreases^expression 20211236
81 90-05-1 NQO1 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in decreased activity of NQO1 protein] decreases^activity|decreases^reaction 28442378
82 90-05-1 NQO1 Rattus norvegicus zingerone inhibits the reaction [Ethanol results in decreased activity of NQO1 protein] decreases^activity|decreases^reaction 28442378
83 90-05-1 OLFR73 Mus musculus zingerone binds to and results in increased activity of OLFR73 protein affects^binding|increases^activity 21142015
84 90-05-1 OLFR73 Mus musculus zingerone binds to and results in increased activity of OLFR73 protein affects^binding|increases^activity 21142015
85 90-05-1 POR Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased activity of POR protein] decreases^reaction|increases^activity 28442378
86 90-05-1 POR Rattus norvegicus zingerone inhibits the reaction [Ethanol results in increased activity of POR protein] decreases^reaction|increases^activity 28442378
87 90-05-1 PTGS2 Rattus norvegicus zingerone results in decreased expression of PTGS2 protein decreases^expression 20211236
88 90-05-1 PTGS2 Rattus norvegicus zingerone results in decreased expression of PTGS2 protein decreases^expression 20211236
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 90-05-1 Methyl guaiacol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Chamomile, German chamomile, Gule-babuna Prasant Chamomilla recutita Prasant essential oil
2 Gurmari Gymnema sylvestre essential oil

Compound Image


2D Structure

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