Norchelidonine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1922603 | |
| PubChem: | 57396731 | |
| IUPAC: | (1R,12R,13S)-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/C19H17NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-5,13,17-18,20-21H,3,6-8H2/t13-,17-,18+/m1/s1 | |
| Standard InChI Key: | DBJHCHBDQALOAS-XWIAVFTESA-N | |
| SMILES: | O[C@@H]1Cc2cc3OCOc3cc2[C@H]2[C@@H]1c1ccc3c(c1CN2)OCO3 | |
Molecular propeties
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| AlogP: | 1.99 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 6 | |
| Molecular Weight: | 339.11 | |
| Topological polar surface area: | 69.2 | |
| 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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