Corytuberine
Representations & DB's id
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| ChEBI: | CHEBI:81200 | |
|---|---|---|
| ChEMBL: | CHEMBL227965 | |
| PubChem: | 160500 | |
| IUPAC: | (6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,11-diol | |
| Standard InChI: | InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1 | |
| Standard InChI Key: | WHFUDAOCYRYAKQ-LBPRGKRZSA-N | |
| SMILES: | COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 | |
Molecular propeties
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| AlogP: | 2.87 | |
|---|---|---|
| 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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