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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29O15
Molecular Weight 581.4995
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of CYANIDIN 3-O-SAMBUBIOSIDE ION

SMILES

[H][C@@]5(O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C4=CC(O)=C(O)C=C4)O[C@H](CO)[C@@H](O)[C@@H]1O)OC[C@@H](O)[C@H](O)[C@H]5O

InChI

InChIKey=ZPPQIOUITZSYAO-AOBOYTTNSA-O
InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Name Type Language
CYANIDIN 3-O-SAMBUBIOSIDE ION
Common Name English
Code System Code Type Description
PUBCHEM
6602304
Created by admin on Sat Dec 16 12:20:16 UTC 2023 , Edited by admin on Sat Dec 16 12:20:16 UTC 2023
PRIMARY
CAS
63535-17-1
Created by admin on Sat Dec 16 12:20:16 UTC 2023 , Edited by admin on Sat Dec 16 12:20:16 UTC 2023
PRIMARY
FDA UNII
7RKF71MYMB
Created by admin on Sat Dec 16 12:20:16 UTC 2023 , Edited by admin on Sat Dec 16 12:20:16 UTC 2023
PRIMARY