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| Ligand ID | XEQ |
| InChI | InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16+/m0/s1 |
| InChIKey | MKJIEFSOBYUXJB-GOEBONIOSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1cc2CCN3C[C@H](CC(C)C)C(=O)C[C@@H]3c2cc1OC | | CACTVS 3.385 | COc1cc2CCN3C[CH](CC(C)C)C(=O)C[CH]3c2cc1OC | | OpenEye OEToolkits 2.0.7 | CC(C)CC1CN2CCc3cc(c(cc3C2CC1=O)OC)OC | | OpenEye OEToolkits 2.0.7 | CC(C)C[C@H]1CN2CCc3cc(c(cc3[C@H]2CC1=O)OC)OC |
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| Formula | C19 H27 N O3 |
| Name | (3~{S},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11~{b}-hexahydrobenzo[a]quinolizin-2-one |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8wvg Chain A Residue 601
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[Download structure with residue number starting from 1]
[View ligand structure]
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