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 GLYCYCOUMARIN

SMILES

COC1=C(CC=C(C)C)C(O)=CC2=C1C=C(C(=O)O2)C3=CC=C(O)C=C3O

InChI

InChIKey=NZYSZZDSYIBYLC-UHFFFAOYSA-N
InChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/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 09:52:57 UTC 2023
Edited
by admin
on Sat Dec 16 09:52:57 UTC 2023
Record UNII
CWQ2B8G346
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCYCOUMARIN
Common Name English
2H-1-BENZOPYRAN-2-ONE, 3-(2,4-DIHYDROXYPHENYL)-7-HYDROXY-5-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-
Systematic Name English
3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one
Systematic Name English
Code System Code Type Description
CAS
94805-82-0
Created by admin on Sat Dec 16 09:52:57 UTC 2023 , Edited by admin on Sat Dec 16 09:52:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID20241630
Created by admin on Sat Dec 16 09:52:57 UTC 2023 , Edited by admin on Sat Dec 16 09:52:57 UTC 2023
PRIMARY
FDA UNII
CWQ2B8G346
Created by admin on Sat Dec 16 09:52:57 UTC 2023 , Edited by admin on Sat Dec 16 09:52:57 UTC 2023
PRIMARY
PUBCHEM
5317756
Created by admin on Sat Dec 16 09:52:57 UTC 2023 , Edited by admin on Sat Dec 16 09:52:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Anti-HCV activity was found to be 7.2 ug/mL.
PARENT -> CONSTITUENT ALWAYS PRESENT
0.20 of dry weight of contents.
PARENT -> CONSTITUENT ALWAYS PRESENT