Coreximine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1164087 | |
| PubChem: | 7037179 | |
| IUPAC: | (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol | |
| Standard InChI: | InChI=1S/C19H21NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3/t15-/m0/s1 | |
| Standard InChI Key: | BWUQAWCUJMATJS-HNNXBMFYSA-N | |
| SMILES: | COc1cc2CN3CCc4c([C@@H]3Cc2cc1O)cc(c(c4)OC)O | |
Molecular propeties
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| AlogP: | 2.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 327.15 | |
| Topological polar surface area: | 62.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.368 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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