Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B6Q1TE
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| Binder Name |
Ergocornine
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| Synonyms |
MLS000069342; UNII-7W36B25464; SMR000058938; 7W36B25464; 12'-hydroxy-2',5'alpha-bis(1-methylethyl)ergotaman-3',6',18-trione; 12'-hydroxy-3',6',18-trioxo-2',5'alpha-di(propan-2-yl)ergotaman; EINECS 209-272-7; NSC 407316; BRN 0078784; regid856021; Opera_ID_1715; 12'-Hydroxy-2',5'-alpha-bis(1-methylethyl)ergotaman-3',6',18-trione; Biomol-NT_000006; Ergocornine, >95%, solid; SCHEMBL78984; 4-25-00-00963 (Beilstein Handbook Reference); cid_73453; MLS001076288; BPBio1_001133; CHEMBL1385840; BDBM30709; HMS2232G14; ZINC56871297; 12'-Hydroxy-2',5'a-bis(1-methylethyl)-8a-ergotaman-3',6',18-trione; Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-; C09162; 15844-EP2275420A1; 15844-EP2280008A2; 15844-EP2298765A1; 15844-EP2316470A2; Q5385809; BRD-K19360254-001-01-3; UNII-2J09Y26C6I component UJYGDMFEEDNVBF-OGGGUQDZSA-N; UNII-J6AIY5049X component UJYGDMFEEDNVBF-OGGGUQDZSA-N
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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 |
C31H39N5O5
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| Canonical SMILES |
CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
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| InChI |
1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1
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| InChIKey |
UJYGDMFEEDNVBF-OGGGUQDZSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:4820
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