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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21O12
Molecular Weight 465.3842
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of DELPHINIDIN 3-O-GLUCOSIDE CATION

SMILES

OC[C@H]1O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C4=CC(O)=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=XENHPQQLDPAYIJ-PEVLUNPASA-O
InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Name Type Language
DELPHINIDIN 3-O-GLUCOSIDE CATION
Common Name English
Delphinidin 3-o-glucoside [WHO-DD]
Common Name English
DELPHINIDIN 3-O-GLUCOSIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70965258
Created by admin on Sat Dec 16 11:03:47 GMT 2023 , Edited by admin on Sat Dec 16 11:03:47 GMT 2023
PRIMARY
PUBCHEM
443650
Created by admin on Sat Dec 16 11:03:47 GMT 2023 , Edited by admin on Sat Dec 16 11:03:47 GMT 2023
PRIMARY
CHEBI
31463
Created by admin on Sat Dec 16 11:03:47 GMT 2023 , Edited by admin on Sat Dec 16 11:03:47 GMT 2023
PRIMARY
SMS_ID
100000086198
Created by admin on Sat Dec 16 11:03:47 GMT 2023 , Edited by admin on Sat Dec 16 11:03:47 GMT 2023
PRIMARY
FDA UNII
8XEQ4P5O4Z
Created by admin on Sat Dec 16 11:03:47 GMT 2023 , Edited by admin on Sat Dec 16 11:03:47 GMT 2023
PRIMARY
CAS
50986-17-9
Created by admin on Sat Dec 16 11:03:47 GMT 2023 , Edited by admin on Sat Dec 16 11:03:47 GMT 2023
PRIMARY