PROCYANIDIN B3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H26O12
Molecular Weight	578.5202
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]1CC2=C(O)C=C(O)C([C@H]3[C@H](O)[C@H](OC4=CC(O)=CC(O)=C34)C5=CC=C(O)C(O)=C5)=C2O[C@@H]1C6=CC=C(O)C(O)=C6

InChI

InChIKey=XFZJEEAOWLFHDH-AVFWISQGSA-N

InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H26O12
Molecular Weight	578.5202
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Biological evaluation of proanthocyanidin dimers and related polyphenols.	1999 Jul	10425115
Additive, antagonistic, and synergistic effects of procyanidins and polyunsaturated fatty acids over inflammation in RAW 264.7 macrophages activated by lipopolysaccharide.	2012 Apr	22169119

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:23:17 UTC 2023` Edited by `admin` on `Fri Dec 15 18:23:17 UTC 2023`
Record UNII	2TC1A0KEAQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PROCYANIDIN B3

Common Name

English

(4,8'-BI-2H-1-BENZOPYRAN)-3,3',5,5',7,7'-HEXOL, 2,2'-BIS(3,4-DIHYDROXYPHENYL)-3,3',4,4'-TETRAHYDRO-, (2R,2'R,3S,3'S,4S)-

Systematic Name

English

(-)-PROCYANIDIN B3

Common Name

English

PROCYANIDOL B3S

Common Name

English

PROANTHOCYANIDIN B3

Common Name

English

Code System Code Type Description

CHEBI

75630