Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BTQA72
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| Binder Name |
(3R,4R,4Ar,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-methyl 3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylate
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| Synonyms |
CHEMBL236075; BDBM50241263; methyl ester of 11-keto-beta-boswellic acid; 3alpha-Hydroxy-11-oxours-12-ene-24-oic acid methyl ester
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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 |
C31H48O4
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| Canonical SMILES |
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)OC)O)C)C)[C@@H]2[C@H]1C)C)C
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| InChI |
1S/C31H48O4/c1-18-9-12-27(3)15-16-29(5)20(24(27)19(18)2)17-21(32)25-28(4)13-11-23(33)31(7,26(34)35-8)22(28)10-14-30(25,29)6/h17-19,22-25,33H,9-16H2,1-8H3/t18-,19+,22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1
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| InChIKey |
CNUYJHVYFWSWMF-ZVGHZZMRSA-N
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| PubChem Compound ID | ||||
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