| BioID | bio199139 |
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| Name | 2',2'-BISEPIGALLOCATECHIN MONOGALLATE |
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| ChEMBL ID | CHEMBL159548 |
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| Molecular Formula | C37H30O18 |
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| Molecular Weight | 762.63 |
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| Molecular Weight (Monoisotopic) | 762.1432 |
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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 | None |
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| Smiles | O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1-c1c([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1 |
|---|
| Inchi | InChI=1S/C37H30O18/c38-12-3-18(40)14-7-24(46)35(53-25(14)5-12)16-8-22(44)31(48)33(50)28(16)29-17(9-23(45)32(49)34(29)51)36-27(10-15-19(41)4-13(39)6-26(15)54-36)55-37(52)11-1-20(42)30(47)21(43)2-11/h1-6,8-9,24,27,35-36,38-51H,7,10H2/t24-,27-,35-,36-/m1/s1 |
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| Inchi Key | CTVAVEOYQKVFFY-DUSGSIEYSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 4.0 |
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| Bioactivities | 8.0 |
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| Np Likeness Score | 1.39 |
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| Records Key | ['29 (R)', 2',2'-BISEPIGALLOCATECHIN MONOGALLATE"]" |
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| Records Name | [3,4,5-Trihydroxy-benzoic acid (2R,3R)-2-[4,5,6,2',3',4'-hexahydroxy-6'-((2R,3R)-3,5,7-trihydroxy-chroman-2-yl)-biphenyl-2-yl]-5,7-dihydroxy-chroman-3-yl ester", "2',2'-BISEPIGALLOCATECHIN MONOGALLATE"]" |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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