U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H20O6
Molecular Weight 368.3799
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GANCAONIN B

SMILES

COC1=CC=C(C=C1O)C2=COC3=CC(O)=C(CC=C(C)C)C(O)=C3C2=O

InChI

InChIKey=YQEPOQVRUDADPH-UHFFFAOYSA-N
InChI=1S/C21H20O6/c1-11(2)4-6-13-15(22)9-18-19(20(13)24)21(25)14(10-27-18)12-5-7-17(26-3)16(23)8-12/h4-5,7-10,22-24H,6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H20O6
Molecular Weight 368.3799
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:41:40 GMT 2023
Edited
by admin
on Sat Dec 16 15:41:40 GMT 2023
Record UNII
3L57FWA9B5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GANCAONIN B
Common Name English
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-
Systematic Name English
3-(4-Methoxy-3-oxidanyl-phenyl)-6-(3-methylbut-2-enyl)-5,7-(bix(oxidanyl)chromen--4one
Systematic Name English
5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
Systematic Name English
Code System Code Type Description
PUBCHEM
5317479
Created by admin on Sat Dec 16 15:41:40 GMT 2023 , Edited by admin on Sat Dec 16 15:41:40 GMT 2023
PRIMARY
CAS
124596-86-7
Created by admin on Sat Dec 16 15:41:40 GMT 2023 , Edited by admin on Sat Dec 16 15:41:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID60154437
Created by admin on Sat Dec 16 15:41:40 GMT 2023 , Edited by admin on Sat Dec 16 15:41:40 GMT 2023
PRIMARY
FDA UNII
3L57FWA9B5
Created by admin on Sat Dec 16 15:41:40 GMT 2023 , Edited by admin on Sat Dec 16 15:41:40 GMT 2023
PRIMARY