Cepharadione A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL235921 | |
| PubChem: | 94577 | |
| IUPAC: | 11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione | |
| Standard InChI: | InChI=1S/C18H11NO4/c1-19-12-6-9-4-2-3-5-10(9)15-14(12)11(16(20)18(19)21)7-13-17(15)23-8-22-13/h2-7H,8H2,1H3 | |
| Standard InChI Key: | RZIGKFTVXWUUCX-UHFFFAOYSA-N | |
| SMILES: | Cn1c2cc3ccccc3c3c2c(c(=O)c1=O)cc1c3OCO1 | |
Molecular propeties
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| AlogP: | 2.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 5 | |
| Molecular Weight: | 305.07 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.111 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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