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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18O12
Molecular Weight 462.3604
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSCUTELLAREIN 8-O-.BETA.-D-GLUCURONIDE

SMILES

O[C@H]1[C@H](OC2=C(O)C=C(O)C3=C2OC(=CC3=O)C4=CC=C(O)C=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=FBDUYUDFMFZSDJ-ZUGPOPFOSA-N
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)17(18(13)31-12)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-23,25-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOSCUTELLAREIN 8-O-.BETA.-D-GLUCURONIDE
Common Name English
ISOSCUTELLAREIN 8-O-GLUCURONIDE
Common Name English
8-HYDROXYAPIGENIN 8-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-8-YL
Common Name English
(2S,3S,4S,5R,6S)-6-(5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXOCHROMEN-8-YL)OXY-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID
Systematic Name English
ISOSCUTELLAREIN 8-GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
YLG58ML3CY
Created by admin on Sat Dec 16 18:29:02 GMT 2023 , Edited by admin on Sat Dec 16 18:29:02 GMT 2023
PRIMARY
PUBCHEM
14332450
Created by admin on Sat Dec 16 18:29:02 GMT 2023 , Edited by admin on Sat Dec 16 18:29:02 GMT 2023
PRIMARY
CAS
56317-09-0
Created by admin on Sat Dec 16 18:29:02 GMT 2023 , Edited by admin on Sat Dec 16 18:29:02 GMT 2023
PRIMARY