Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BR1IA2
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| Binder Name |
Lantadene A
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| Synonyms |
Rehmannic acid; UNII-9SK62WCU1W; 9SK62WCU1W; HSDB 3503; 22-beta-Angeloyloxyoleanolic acid; Olean-12-en-28-oic acid, 22-beta-hydroxy-3-oxo-, 2-methylcrotonate, (Z)-; Olean-12-en-28-oic acid, 22beta-hydroxy-3-oxo-, 2-methylcrotonate, (Z)-; 22-((2-Methyl-1-oxo-2-butenyl)oxy)-3-oxo-olean-12-en-28-oic acid, 22-beta(Z)-; CHEMBL510691; ZINC42835006; 22-((2-Methyl-1-oxo-2-butenyl)oxy)-3-oxo-olean-12-en-28-oic acid, (22beta); Q27273075
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C35H52O5
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| Canonical SMILES |
C/C=C(/C)\\C(=O)O[C@@H]1CC(C[C@@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C(=O)O)(C)C
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| InChI |
1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1
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| InChIKey |
KCLIRHUTOPOHKJ-LSZVMECJSA-N
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| PubChem Compound ID | ||||
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