| PDB CCD ID: | D4R |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C19 H21 N O3 |
| InChI: | InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1 |
| InChIKey: | FQXXSQDCDRQNQE-VMDGZTHMSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@H]1C5)OC)OC | | CACTVS 3.385 | COC1=CC=C2[CH]3Cc4ccc(OC)c5O[CH]1[C]2(CCN3C)c45 | | OpenEye OEToolkits 2.0.7 | CN1CCC23c4c5ccc(c4OC2C(=CC=C3C1C5)OC)OC | | CACTVS 3.385 | COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45 |
|
| Name: | (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;
Thebaine |
| ChEMBL: | CHEMBL403893 |
| ZINC: | ZINC000053199482 |
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