Neriifolone A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3327041 | |
| PubChem: | 102042409 | |
| IUPAC: | 1,3,6-trihydroxy-5-methoxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one | |
| Standard InChI: | InChI=1S/C19H18O6/c1-5-19(2,3)14-12(22)8-11(21)13-15(23)9-6-7-10(20)17(24-4)16(9)25-18(13)14/h5-8,20-22H,1H2,2-4H3 | |
| Standard InChI Key: | ZEOKDWPZNMUQNT-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)ccc2c1oc1c(c2=O)c(O)cc(c1C(C=C)(C)C)O | |
Molecular propeties
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| AlogP: | 3.54 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 342.11 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.211 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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