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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18O12
Molecular Weight 462.3612
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSCUTELLARIN

SMILES

c1cc(ccc1-c2cc(=O)c3c(cc(c(c3O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O)O)o2)O

InChI

InChIKey=HBLWMMBFOKSEKW-BHWDSYMASA-N
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)11-5-9(23)13-12(31-11)6-10(24)18(14(13)25)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-6,15-17,19,21-22,24-28H,(H,29,30)/t15-,16-,17+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H18O12
Molecular Weight 462.3612
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:12:30 UTC 2021
Edited
by admin
on Sat Jun 26 12:12:30 UTC 2021
Record UNII
FRH0WC636A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOSCUTELLARIN
Common Name English
SCUTELLAREIN-6-O-GLUCURONIDE
Common Name English
SCUTELLAREIN-6-O-.BETA.-D-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6-YL
Systematic Name English
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
S-6-G
Common Name English
Code System Code Type Description
CAS
62023-92-1
Created by admin on Sat Jun 26 12:12:30 UTC 2021 , Edited by admin on Sat Jun 26 12:12:30 UTC 2021
PRIMARY
FDA UNII
FRH0WC636A
Created by admin on Sat Jun 26 12:12:30 UTC 2021 , Edited by admin on Sat Jun 26 12:12:30 UTC 2021
PRIMARY
PUBCHEM
11996857
Created by admin on Sat Jun 26 12:12:30 UTC 2021 , Edited by admin on Sat Jun 26 12:12:30 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA; URINE
PARENT -> METABOLITE
FECAL