Protopine
Representations & DB's id
| ||
| ChEBI: | CHEBI:16415 | |
|---|---|---|
| ChEMBL: | CHEMBL453019 | |
| PubChem: | 4970 | |
| IUPAC: | 15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one | |
| Standard InChI: | InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3 | |
| Standard InChI Key: | GPTFURBXHJWNHR-UHFFFAOYSA-N | |
| SMILES: | CN1CCc2cc3OCOc3cc2C(=O)Cc2c(C1)c1OCOc1cc2 | |
Molecular propeties
| ||
| AlogP: | 2.56 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 5 | |
| Molecular Weight: | 353.13 | |
| Topological polar surface area: | 57.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.35 | |
| Number of carbons: | 20 | |