| 2D Structure | |
| CID | 122738 |
| Target | LPO , SNCA |
| IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| InChI | 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-/m1/s1 |
| InChI Key | XFZJEEAOWLFHDH-NFJBMHMQSA-N |
| Canonical SMILES | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| Isomeric SMILES | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| Molecular Formula | C30H26O12 |
| Molecular Weight | 578.5 |
| synonyms | ['Procyanidin B2', '29106-49-8', 'Procyanidol B2', '(+)-Procyanidin B2', 'Procyanidin B-2', 'Proanthocyanidin B2', 'CHEBI:75632', '2,3-cis-proanthocyanidin', 'UNII-L88HKE854X', 'L88HKE854X', 'EC-(4b,8)-EC', "[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,3R,3'R,4R)-", 'Epicathechin-(4beta->8)-epicathechin', 'NSC 623097', 'PROCYANIDIN B2 DIMER', 'PROCYANIDIN B2, (+)-', 'NSC-623097', "(2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol", "(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-(2alpha,3alpha,4beta(2'R*,3'R*)))-", 'PROCYANIDIN B2 (USP-RS)', 'PROCYANIDIN B2 [USP-RS]', "(2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol", "(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,3R,3'R,4R)-", '(-)-EPICATECHIN-(4beta->8)-(-)-EPICATECHIN', 'PROCYANIDIN B2 (CONSTITUENT OF GRAPE SEEDS OLIGOMERIC PROANTHOCYANIDINS)', 'PROCYANIDINB2', 'CHEMBL38714', '(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol', "(2R,2'R,3R,3'R,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichromane]-3,3',5,5',7,7'-hexaol", 'Procyanidin-B2', 'MFCD01861513', 'Procyanidin dimer B2', 'Procyanidin B2 (Standard)', 'SCHEMBL288579', 'HY-N0796R', 'DTXSID701028797', 'HY-N0796', 'Procyanidin B2, analytical standard', 'BDBM50553253', 'LMPK12030002', 'AKOS008901339', 'CS-5982', 'FP31144', 'BS-49221', 'DA-57056', '4,8″-Bi-[(+)-epicatechin], cis', 'C17639', '(-)-Epicatechin-(4.beta.-8)-(-)-epicatechin', 'Q7247552', '(-)-EPICATECHIN-(4.BETA.->8)-(-)-EPICATECHIN', 'cis,cis"-4,8"-Bi(3,3\',4\',5,7-pentahydroxyflavane)', "cis″-4,8″-Bi(3,3',4',5,7-pentahydroxyflavane)", "4,8''-Bi-[(+)-epicatechin];cis,cis''-4,8''-Bi(3,3',4',5,7-pentahydroxyflavane)", '(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol', '(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol', "(2R-(2.ALPHA.,3.ALPHA.,4.BETA.(2'R*,3'R*)))-2,2'-BIS(3,4-DIHYDROXYPHENYL)-3,3',4,4'-TETRAHYDRO-(4,8'-BI-2H-1-BENZOPYRAN)-3,3',5,5',7,7'-HEXOL", "(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.ALPHA.,3.ALPHA.,4.BETA.(2'R*,3'R*)))-"] |
From Pubchem