Allocryptopine
Representations & DB's id
| ||
| ChEBI: | CHEBI:17390 | |
|---|---|---|
| ChEMBL: | CHEMBL520043 | |
| PubChem: | 98570 | |
| IUPAC: | 7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one | |
| Standard InChI: | InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3 | |
| Standard InChI Key: | HYBRYAPKQCZIAE-UHFFFAOYSA-N | |
| SMILES: | COc1c(OC)ccc2c1CN(C)CCc1c(C(=O)C2)cc2c(c1)OCO2 | |
Molecular propeties
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| AlogP: | 2.85 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 369.16 | |
| Topological polar surface area: | 57.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.381 | |
| Number of carbons: | 21 | |