| 2D Structure | |
| CID | 169853 |
| Target | LPO |
| IUPAC Name | (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-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/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1 |
| InChI Key | MOJZMWJRUKIQGL-XILRTYJMSA-N |
| Canonical SMILES | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O |
| Isomeric SMILES | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O |
| Molecular Formula | C45H38O18 |
| Molecular Weight | 866.8 |
| synonyms | ['Procyanidin C1', '37064-30-5', 'Procyanidol C1', 'Proanthocyanidin C1', 'Cinnamtannin A1', 'UNII-33516LCW4F', 'CHEBI:75643', '33516LCW4F', 'EC-(4b,8)-EC-(4b,8)-EC', "(2r,2'r,2''r,3r,3'r,3''r,4r,4's)-2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2h,2'h,2''h-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonol", 'Epicatechin-(4beta->8)-epicatechin-(4beta->8)-epicatechin', 'PROCYANIDIN C1, (+)-', 'DTXSID10190562', '[Epicatechin(4b->8)]2-epicatechin', "(4,8':4',8''-Ter-2H-1-benzopyran)-3,3',3'',5,5',5'',7,7',7''-nonol, 2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-, stereoisomer", '[Epicatechin-(4beta->8)]2-epicatechin', '(Epicatechin(4b->8))2-epicatechin', '(Epicatechin-(4beta->8))2-epicatechin', 'DTXCID50113053', 'PROCYANIDIN C1 (CONSTITUENT OF MARITIME PINE)', "(2R,2'R,2''R,3R,3'R,3''R,4R,4'S)-2,2',2''-Tris(3,4-dihydroxyphenyl)-[4,8':4',8''-terchroman]-3,3',3'',5,5',5'',7,7',7''-nonaol", 'Procyanidin trimer C1', 'CHEMBL290632', '(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-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', 'Procyanidin C-1', 'C45H38O18', 'PCC1', 'Procyanidin C1 (Standard)', 'SCHEMBL678609', 'HY-N2342R', 'HY-N2342', 'BDBM50240460', 'MSK166802', 'AKOS027321198', 'AC-35069', 'DA-77079', 'MS-31600', '1ST166802', 'CS-0021304', 'C17624', 'Q7247556', 'epicatechin-(4beta-8)-epicatechin-(4beta-8)-epicatechin', 'PROCYANIDIN C1 (CONSTITUENT OF MARITIME PINE) [DSC]', 'Epicatechin-(4.beta.-->8)epicatechin-(4.beta.-->8)epicatechin', 'EPICATECHIN-(4.BETA.->8)-EPICATECHIN-(4.BETA.->8)-EPICATECHIN', "(2R,3R,4R,2''R,3''R,4''S,2''''R,3''''R)-2,2'',2''''-Tris-(3,4-dihydroxy-phenyl)-3,4,3'',4'',3'''',4''''-hexahydro-2H,2''H,2''''H-[4,8'';4'',8'''']terchromene-3,5,7,3'',5'',7'',3'''',5'''',7''''-nonaol", '(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol', '(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-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'] |
From Pubchem