Chelidonine (+)
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL436279 | |
| PubChem: | 10147 | |
| IUPAC: | 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol | |
| Standard InChI: | InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3 | |
| Standard InChI Key: | GHKISGDRQRSCII-UHFFFAOYSA-N | |
| SMILES: | CN1Cc2c(C3C1c1cc4OCOc4cc1CC3O)ccc1c2OCO1 | |
Molecular propeties
| ||
| AlogP: | 2.33 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 6 | |
| Molecular Weight: | 353.13 | |
| Topological polar surface area: | 60.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |