U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22O11
Molecular Weight 462.4035
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPARIN

SMILES

COC1=C(O)C=CC(=C1)C2=CC(=O)C3=C(O2)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C=C3O

InChI

InChIKey=YXHFXGHAELQJGK-PGPONNFDSA-N
InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15-,18-,19+,20-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H22O11
Molecular Weight 462.4035
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 Mon Mar 31 20:06:17 GMT 2025
Edited
by admin
on Mon Mar 31 20:06:17 GMT 2025
Record UNII
DR3Y9P779Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCOPARIN
MI  
Common Name English
NSC-167408
Preferred Name English
4H-1-BENZOPYRAN-4-ONE, 8-.BETA.-D-GLUCOPYRANOSYL-5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-
Common Name English
8-C-.BETA.-D-GLUCOPYRANOSYLCHRYSOERIOL
Common Name English
CHRYSOERIOL 8-C-GLUCOSIDE
Common Name English
SCOPAROSIDE
Common Name English
SCOPARIN [MI]
Common Name English
SCOPARINE
Common Name English
Code System Code Type Description
PUBCHEM
20055255
Created by admin on Mon Mar 31 20:06:17 GMT 2025 , Edited by admin on Mon Mar 31 20:06:17 GMT 2025
PRIMARY
CAS
301-16-6
Created by admin on Mon Mar 31 20:06:17 GMT 2025 , Edited by admin on Mon Mar 31 20:06:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID90952509
Created by admin on Mon Mar 31 20:06:17 GMT 2025 , Edited by admin on Mon Mar 31 20:06:17 GMT 2025
PRIMARY
MERCK INDEX
m9809
Created by admin on Mon Mar 31 20:06:17 GMT 2025 , Edited by admin on Mon Mar 31 20:06:17 GMT 2025
PRIMARY Merck Index
FDA UNII
DR3Y9P779Q
Created by admin on Mon Mar 31 20:06:17 GMT 2025 , Edited by admin on Mon Mar 31 20:06:17 GMT 2025
PRIMARY
NSC
167408
Created by admin on Mon Mar 31 20:06:17 GMT 2025 , Edited by admin on Mon Mar 31 20:06:17 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT