(4Z)-4-Ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1985054 | |
| PubChem: | 12315046 | |
| IUPAC: | (4Z)-4-Ethylidene-7,12-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione | |
| Standard InChI: | InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4- | |
| Standard InChI Key: | YEXVXKIMPBHRQR-WCIBSUBMSA-N | |
| SMILES: | C/C=C1/CC(C)C(C)(O)C(=O)OCC2C3C(OC1=O)CCN3CC2O | |
Molecular propeties
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| AlogP: | 0.24 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 353.18 | |
| Topological polar surface area: | 96.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.778 | |
| Number of carbons: | 18 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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