| BioID | bio199467 |
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| Name | PROANTHOCYANIDIN A2 |
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| ChEMBL ID | CHEMBL286933 |
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| Molecular Formula | C30H24O12 |
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| Molecular Weight | 576.51 |
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| Molecular Weight (Monoisotopic) | 576.1268 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | Proanthocyanidin A-2|Proanthocyanidin A2|Procyanidin A2 |
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| Smiles | Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C4 |
|---|
| Inchi | InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1 |
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| Inchi Key | NSEWTSAADLNHNH-LSBOWGMISA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 32.0 |
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| Bioactivities | 65.0 |
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| Np Likeness Score | 2.15 |
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| Records Key | ['40', '9, proanthocyanidin A2', '3, procyanidin A2', '53', '4', '5', '6', 'Procyanidin A2', 'proAc', 'Proanthocyanidin A2 dimer', 'proanthocyanidin A-2', '4'] |
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| Records Name | ['5,13-di(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentaol', 'epicatechin-(4beta->8,2beta->O->7)-epicatechin', 'epicatechin-(4beta->8, 2beta->O->7)-epicatechin', 'Proanthocyanidin A-2', 'proanthocyanidin A2', 'procyanidin A-2', 'Procyanidin A2', 'Procyanidin A2', 'Proanthocyanidin A2', 'NA', 'proanthocyanidin A-2', 'Proanthocyanidin A2'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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