Aristolactam I
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL479127 | |
| PubChem: | 96710 | |
| IUPAC: | 14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one | |
| Standard InChI: | InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19) | |
| Standard InChI Key: | MXOKGWUJNGEKBH-UHFFFAOYSA-N | |
| SMILES: | COc1cccc2c1cc1N=C(c3c1c2c1OCOc1c3)O | |
Molecular propeties
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| AlogP: | 3.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 293.07 | |
| Topological polar surface area: | 56.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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