Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BE45DV
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| Binder Name |
Bruceantin
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| Synonyms |
Bruceantine; UNII-S3NW88DI4T; NSC165563; NSC-165563; S3NW88DI4T; MLS002703020; NSC 165563; Bruceantin(NSC165563); CHEMBL509895; SCHEMBL16742407; HY-N0840; MFCD00866510; ZINC30726685; SC-96853; C08749; 2H-3,1-bc]pyran, picras-3-en-21-oic acid deriv.; Q27105979
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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 |
C28H36O11
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| Canonical SMILES |
CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O
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| InChI |
1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1
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| InChIKey |
IRQXZTBHNKVIRL-GOTQHHPNSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:3188
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