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| Ligand ID | MOI |
| InChI | InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 |
| InChIKey | BQJCRHHNABKAKU-KBQPJGBKSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | CN1CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[CH]2C=C[CH]4O)c35 | | CACTVS 3.341 | CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35 | | ACDLabs 10.04 | OC2C=CC5C4N(CCC51c3c(OC12)c(O)ccc3C4)C | | OpenEye OEToolkits 1.5.0 | CN1CCC23c4c5ccc(c4OC2C(C=CC3C1C5)O)O | | OpenEye OEToolkits 1.5.0 | C[N@]1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O |
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| Formula | C17 H19 N O3 |
| Name | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL;
MORPHINE;
(5A,6A)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINIAN-3,6-DIOL;
MORPHIUM;
MORPHIA;
DOLCONTIN;
DUROMORPH;
MORPHINA;
NEPENTHE |
| ChEMBL | CHEMBL70 |
| DrugBank | DB00295 |
| ZINC | ZINC000003812983
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| PDB chain | 1q0y Chain H Residue 401
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[View ligand structure]
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