Dihydrochelerythrine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL400359 | |
| PubChem: | 485077 | |
| IUPAC: | 1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine | |
| Standard InChI: | InChI=1S/C21H19NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-9H,10-11H2,1-3H3 | |
| Standard InChI Key: | ALZAZMCIBRHMFF-UHFFFAOYSA-N | |
| SMILES: | COc1c(OC)ccc2c1CN(C)c1c2ccc2c1cc1OCOc1c2 | |
Molecular propeties
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| AlogP: | 4.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 349.13 | |
| Topological polar surface area: | 40.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.238 | |
| Number of carbons: | 21 | |