BAVACHININ

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O4
Molecular Weight	338.397
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(CC=C(C)C)C=C2C(=O)C[C@H](OC2=C1)C3=CC=C(O)C=C3

InChI

InChIKey=VOCGSQHKPZSIKB-FQEVSTJZSA-N

InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O4
Molecular Weight	338.397
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Peroxisome proliferator-activated receptor alpha 62 Target ID: CHEMBL239 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26983922	Agonist 2678	4.001 µM [EC50]
Peroxisome proliferator-activated receptor gamma 111 Target ID: CHEMBL235 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26983922	Agonist 2678	0.738 µM [EC50]
Peroxisome proliferator-activated receptor delta 29 Target ID: CHEMBL3979 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26983922	Agonist 2678	8.072 µM [EC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:04:08 GMT 2023` Edited by `admin` on `Sat Dec 16 09:04:08 GMT 2023`
Record UNII	VL3EV483SZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BAVACHININ

Common Name

English

(2S)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-7-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-7-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-, (2S)-

Systematic Name

English

7-O-METHYLBAVACHIN

Common Name

English

BAVACHININ A

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90941731

Created by admin on Sat Dec 16 09:04:08 GMT 2023 , Edited by admin on Sat Dec 16 09:04:08 GMT 2023

PRIMARY

FDA UNII

VL3EV483SZ

Created by admin on Sat Dec 16 09:04:08 GMT 2023 , Edited by admin on Sat Dec 16 09:04:08 GMT 2023

PRIMARY

CAS

19879-30-2

Created by admin on Sat Dec 16 09:04:08 GMT 2023 , Edited by admin on Sat Dec 16 09:04:08 GMT 2023

PRIMARY

PUBCHEM

10337211

Created by admin on Sat Dec 16 09:04:08 GMT 2023 , Edited by admin on Sat Dec 16 09:04:08 GMT 2023

PRIMARY

Related Record Type Details


					78AD6Z52S6

CULLEN CORYLIFOLIUM FRUIT

PARENT -> CONSTITUENT ALWAYS PRESENT