AromaDb: A Database of Plant's Aroma Molecules

1,2-Benzodihydropyrone Details

: IUPAC Name
Dihydrocoumarin
:Chemical Class
:CAS Registry Number
119-84-6
:Description

:Fragrance Type
coconut

Physical and Chemical properties

PUBCHEM ID660
Molecular Weight (mg/mol)148.163
Molecular FormulaC9H8O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
IUPAC NameDihydrocoumarin
Canonical SMILESO=C2CCc1ccccc1O2
PUBCHEM IUPAC INCHIKEYVMUXSMXIQBNMGZ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.267

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA15.79
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP981.923
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.737663
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 119-84-6 DDIT3 Mus musculus 3,4-dihydrocoumarin affects the expression of DDIT3 mRNA affects^expression 22016648
2 119-84-6 DDIT3 Mus musculus 3,4-dihydrocoumarin affects the expression of DDIT3 mRNA affects^expression 22016648
3 119-84-6 DDIT3 Mus musculus 3,4-dihydrocoumarin affects the expression of DDIT3 mRNA affects^expression 22016648
4 119-84-6 DNAJA2 Mus musculus 3,4-dihydrocoumarin results in decreased expression of DNAJA2 mRNA decreases^expression 22016648
5 119-84-6 DNAJA2 Mus musculus 3,4-dihydrocoumarin results in decreased expression of DNAJA2 mRNA decreases^expression 22016648
6 119-84-6 DNAJA2 Mus musculus 3,4-dihydrocoumarin results in decreased expression of DNAJA2 mRNA decreases^expression 22016648
7 119-84-6 EGF Mus musculus 3,4-dihydrocoumarin results in increased expression of EGF mRNA increases^expression 22016648
8 119-84-6 EGF Mus musculus 3,4-dihydrocoumarin results in increased expression of EGF mRNA increases^expression 22016648
9 119-84-6 EGF Mus musculus 3,4-dihydrocoumarin results in increased expression of EGF mRNA increases^expression 22016648
10 119-84-6 EPHX1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of EPHX1 mRNA decreases^expression 22016648
11 119-84-6 EPHX1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of EPHX1 mRNA decreases^expression 22016648
12 119-84-6 EPHX1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of EPHX1 mRNA decreases^expression 22016648
13 119-84-6 HSD17B4 Mus musculus 3,4-dihydrocoumarin results in increased expression of HSD17B4 mRNA increases^expression 22016648
14 119-84-6 HSD17B4 Mus musculus 3,4-dihydrocoumarin results in increased expression of HSD17B4 mRNA increases^expression 22016648
15 119-84-6 HSD17B4 Mus musculus 3,4-dihydrocoumarin results in increased expression of HSD17B4 mRNA increases^expression 22016648
16 119-84-6 HSP90AB1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of HSP90AB1 mRNA decreases^expression 22016648
17 119-84-6 HSP90AB1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of HSP90AB1 mRNA decreases^expression 22016648
18 119-84-6 HSP90AB1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of HSP90AB1 mRNA decreases^expression 22016648
19 119-84-6 HSPA1A Mus musculus 3,4-dihydrocoumarin results in increased expression of HSPA1A mRNA increases^expression 22016648
20 119-84-6 HSPA1A Mus musculus 3,4-dihydrocoumarin results in increased expression of HSPA1A mRNA increases^expression 22016648
21 119-84-6 HSPA1A Mus musculus 3,4-dihydrocoumarin results in increased expression of HSPA1A mRNA increases^expression 22016648
22 119-84-6 KAP Mus musculus 3,4-dihydrocoumarin results in decreased expression of KAP mRNA decreases^expression 22016648
23 119-84-6 KAP Mus musculus 3,4-dihydrocoumarin results in decreased expression of KAP mRNA decreases^expression 22016648
24 119-84-6 KAP Mus musculus 3,4-dihydrocoumarin results in decreased expression of KAP mRNA decreases^expression 22016648
25 119-84-6 OAT Mus musculus 3,4-dihydrocoumarin results in decreased expression of OAT mRNA decreases^expression 22016648
26 119-84-6 OAT Mus musculus 3,4-dihydrocoumarin results in decreased expression of OAT mRNA decreases^expression 22016648
27 119-84-6 OAT Mus musculus 3,4-dihydrocoumarin results in decreased expression of OAT mRNA decreases^expression 22016648
28 119-84-6 PEPCK Mus musculus 3,4-dihydrocoumarin results in decreased expression of PEPCK mRNA decreases^expression 22016648
29 119-84-6 PEPCK Mus musculus 3,4-dihydrocoumarin results in decreased expression of PEPCK mRNA decreases^expression 22016648
30 119-84-6 PEPCK Mus musculus 3,4-dihydrocoumarin results in decreased expression of PEPCK mRNA decreases^expression 22016648
31 119-84-6 PRDX1 Mus musculus 3,4-dihydrocoumarin results in increased expression of PRDX1 mRNA increases^expression 22016648
32 119-84-6 PRDX1 Mus musculus 3,4-dihydrocoumarin results in increased expression of PRDX1 mRNA increases^expression 22016648
33 119-84-6 PRDX1 Mus musculus 3,4-dihydrocoumarin results in increased expression of PRDX1 mRNA increases^expression 22016648
34 119-84-6 PRDX3 Mus musculus 3,4-dihydrocoumarin results in decreased expression of PRDX3 mRNA decreases^expression 22016648
35 119-84-6 PRDX3 Mus musculus 3,4-dihydrocoumarin results in decreased expression of PRDX3 mRNA decreases^expression 22016648
36 119-84-6 PRDX3 Mus musculus 3,4-dihydrocoumarin results in decreased expression of PRDX3 mRNA decreases^expression 22016648
37 119-84-6 PSMB8 Mus musculus 3,4-dihydrocoumarin results in decreased expression of PSMB8 mRNA decreases^expression 22016648
38 119-84-6 PSMB8 Mus musculus 3,4-dihydrocoumarin results in decreased expression of PSMB8 mRNA decreases^expression 22016648
39 119-84-6 PSMB8 Mus musculus 3,4-dihydrocoumarin results in decreased expression of PSMB8 mRNA decreases^expression 22016648
40 119-84-6 PTPMT1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of PTPMT1 mRNA decreases^expression 22016648
41 119-84-6 PTPMT1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of PTPMT1 mRNA decreases^expression 22016648
42 119-84-6 PTPMT1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of PTPMT1 mRNA decreases^expression 22016648
43 119-84-6 RBP4 Mus musculus 3,4-dihydrocoumarin results in decreased expression of RBP4 mRNA decreases^expression 22016648
44 119-84-6 RBP4 Mus musculus 3,4-dihydrocoumarin results in decreased expression of RBP4 mRNA decreases^expression 22016648
45 119-84-6 RBP4 Mus musculus 3,4-dihydrocoumarin results in decreased expression of RBP4 mRNA decreases^expression 22016648
46 119-84-6 SOD1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of SOD1 mRNA decreases^expression 22016648
47 119-84-6 SOD1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of SOD1 mRNA decreases^expression 22016648
48 119-84-6 SOD1 Mus musculus 3,4-dihydrocoumarin results in decreased expression of SOD1 mRNA decreases^expression 22016648
49 119-84-6 TIMP2 Mus musculus 3,4-dihydrocoumarin results in decreased expression of TIMP2 mRNA decreases^expression 22016648
50 119-84-6 TIMP2 Mus musculus 3,4-dihydrocoumarin results in decreased expression of TIMP2 mRNA decreases^expression 22016648
51 119-84-6 TIMP2 Mus musculus 3,4-dihydrocoumarin results in decreased expression of TIMP2 mRNA decreases^expression 22016648
52 119-84-6 TUBB5 Mus musculus 3,4-dihydrocoumarin results in decreased expression of TUBB5 mRNA decreases^expression 22016648
53 119-84-6 TUBB5 Mus musculus 3,4-dihydrocoumarin results in decreased expression of TUBB5 mRNA decreases^expression 22016648
54 119-84-6 TUBB5 Mus musculus 3,4-dihydrocoumarin results in decreased expression of TUBB5 mRNA decreases^expression 22016648
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 119-84-6 1,2-Benzodihydropyrone

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