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

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=CC(=CC=C1O)C2=CC(=O)C3=C(O)C=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O2

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

Approval Year

Name Type Language
SCOPARIN
MI  
Common 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
NSC-167408
Code 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 Fri Dec 15 20:16:50 GMT 2023 , Edited by admin on Fri Dec 15 20:16:50 GMT 2023
PRIMARY
CAS
301-16-6
Created by admin on Fri Dec 15 20:16:50 GMT 2023 , Edited by admin on Fri Dec 15 20:16:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID90952509
Created by admin on Fri Dec 15 20:16:50 GMT 2023 , Edited by admin on Fri Dec 15 20:16:50 GMT 2023
PRIMARY
MERCK INDEX
m9809
Created by admin on Fri Dec 15 20:16:50 GMT 2023 , Edited by admin on Fri Dec 15 20:16:50 GMT 2023
PRIMARY Merck Index
FDA UNII
DR3Y9P779Q
Created by admin on Fri Dec 15 20:16:50 GMT 2023 , Edited by admin on Fri Dec 15 20:16:50 GMT 2023
PRIMARY
NSC
167408
Created by admin on Fri Dec 15 20:16:50 GMT 2023 , Edited by admin on Fri Dec 15 20:16:50 GMT 2023
PRIMARY