| BioID | bio83469 |
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| Name | PROANTHOCYANIDIN A1 |
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| ChEMBL ID | CHEMBL450916 |
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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 | Tar54 |
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| Target Name | None |
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| Synonyms | Proanthocyanidin A1 |
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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-/m0/s1 |
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| Inchi Key | NSEWTSAADLNHNH-TXZJYACMSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 21.0 |
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| Bioactivities | 33.0 |
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| Np Likeness Score | 2.15 |
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| Records Key | ['5', '8, proanthocyanidin A1', '3', 'Dimer A1', 'proanthocyanidin A-1'] |
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| Records Name | ['Proanthocyanidin A1', 'epicatechin-(4beta->8,2beta->O->7)-catechin', 'proanthocyanidin A1', 'epicatechin-(4beta->8,2beta->O->7)-catechin', 'proanthocyanidin A-1'] |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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