AromaDb: A Database of Plant's Aroma Molecules

2,2-Bichavicol Details

: IUPAC Name
Magnolol
:Chemical Class
Alcohol
:CAS Registry Number
528-43-8
:Description

:Fragrance Type
Bitter aroma

Physical and Chemical properties

PUBCHEM ID72300
Molecular Weight (mg/mol)266.342
Molecular FormulaC18H18O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC NameMagnolol
Canonical SMILESC=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O
PUBCHEM IUPAC INCHIKEYVVOAZFWZEDHOOU-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-7.296

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP984.88
EXT CYP2D6#Prediction1

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.12387
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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
1 528-43-8 AIF1 Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of AIF1 protein] decreases^reaction|increases^expression 26756313
2 528-43-8 AIF1 Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of AIF1 protein] decreases^reaction|increases^expression 26756313
3 528-43-8 BAX Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of BAX protein] decreases^reaction|increases^expression 26756313
4 528-43-8 BAX Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of BAX protein] decreases^reaction|increases^expression 26756313
5 528-43-8 BCL2 Mus musculus magnolol inhibits the reaction [trimethyltin results in decreased expression of BCL2 protein] decreases^expression|decreases^reaction 26756313
6 528-43-8 BCL2 Mus musculus magnolol inhibits the reaction [trimethyltin results in decreased expression of BCL2 protein] decreases^expression|decreases^reaction 26756313
7 528-43-8 CASP3 Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of CASP3 protein modified form] decreases^reaction|increases^expression 26756313
8 528-43-8 CASP3 Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of CASP3 protein modified form] decreases^reaction|increases^expression 26756313
9 528-43-8 CCND1 magnolol results in decreased expression of CCND1 mRNA decreases^expression 23274740
10 528-43-8 CCND1 magnolol results in decreased expression of CCND1 mRNA decreases^expression 23274740
11 528-43-8 CCND1 magnolol results in decreased expression of CCND1 protein decreases^expression 23274740
12 528-43-8 CCND1 magnolol results in decreased expression of CCND1 protein decreases^expression 23274740
13 528-43-8 CCNE1 magnolol results in decreased expression of CCNE1 mRNA decreases^expression 23274740
14 528-43-8 CCNE1 magnolol results in decreased expression of CCNE1 mRNA decreases^expression 23274740
15 528-43-8 CCNE1 magnolol results in decreased expression of CCNE1 protein decreases^expression 23274740
16 528-43-8 CCNE1 magnolol results in decreased expression of CCNE1 protein decreases^expression 23274740
17 528-43-8 CDK2 magnolol results in decreased expression of CDK2 mRNA decreases^expression 23274740
18 528-43-8 CDK2 magnolol results in decreased expression of CDK2 mRNA decreases^expression 23274740
19 528-43-8 CDK2 magnolol results in decreased expression of CDK2 protein decreases^expression 23274740
20 528-43-8 CDK2 magnolol results in decreased expression of CDK2 protein decreases^expression 23274740
21 528-43-8 CDK4 magnolol results in decreased expression of CDK4 mRNA decreases^expression 23274740
22 528-43-8 CDK4 magnolol results in decreased expression of CDK4 mRNA decreases^expression 23274740
23 528-43-8 CDK4 magnolol results in decreased expression of CDK4 protein decreases^expression 23274740
24 528-43-8 CDK4 magnolol results in decreased expression of CDK4 protein decreases^expression 23274740
25 528-43-8 CYP1A2 Mus musculus magnolol results in decreased activity of CYP1A2 protein decreases^activity 19140158
26 528-43-8 CYP1A2 Mus musculus magnolol results in decreased activity of CYP1A2 protein decreases^activity 19140158
27 528-43-8 GFAP Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of GFAP protein] decreases^reaction|increases^expression 26756313
28 528-43-8 GFAP Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of GFAP protein] decreases^reaction|increases^expression 26756313
29 528-43-8 HMOX1 Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of HMOX1 protein] decreases^reaction|increases^expression 26756313
30 528-43-8 HMOX1 Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of HMOX1 protein] decreases^reaction|increases^expression 26756313
31 528-43-8 NOS2 Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of NOS2 protein] decreases^reaction|increases^expression 26756313
32 528-43-8 NOS2 Mus musculus magnolol inhibits the reaction [trimethyltin results in increased expression of NOS2 protein] decreases^reaction|increases^expression 26756313
33 528-43-8 PPARG Homo sapiens magnolol binds to and results in increased activity of PPARG protein affects^binding|increases^activity 20064974
34 528-43-8 PPARG Homo sapiens magnolol binds to and results in increased activity of PPARG protein affects^binding|increases^activity 20064974
35 528-43-8 PPARG Mus musculus 2,2-bis(4-glycidyloxyphenyl)propane inhibits the reaction [magnolol binds to and results in increased activity of PPARG protein] affects^binding|decreases^reaction|increases^activity 20064974
36 528-43-8 PPARG Mus musculus 2,2-bis(4-glycidyloxyphenyl)propane inhibits the reaction [magnolol binds to and results in increased activity of PPARG protein] affects^binding|decreases^reaction|increases^activity 20064974
37 528-43-8 UGT1A9 Homo sapiens magnolol results in decreased activity of UGT1A9 protein decreases^activity 26875642
38 528-43-8 UGT1A9 Homo sapiens magnolol results in decreased activity of UGT1A9 protein decreases^activity 26875642
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 528-43-8 2,2-Bichavicol

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures