DELPHINIDIN 3-O-GLUCOSIDE CATION

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

Structure Search

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

Molecular Formula	C21H20O12
Molecular Weight	464.3763
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
platelet activation 9 Target ID: GO:0030168 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22624015	Inhibitor 8297
autophagy 17 Target ID: GO:0006914 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25047736	Activator 1430

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:03:46 UTC 2023` Edited by `admin` on `Sat Dec 16 11:03:46 UTC 2023`
Record UNII	8XEQ4P5O4Z
Record Status	`Validated (UNII)`
Record Version

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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