5-O-Methylxanthone V1
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2147810 | |
| PubChem: | 12178329 | |
| IUPAC: | 5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one | |
| Standard InChI: | InChI=1S/C24H24O6/c1-12(2)6-7-15-20-14(10-11-24(3,4)30-20)19(27)17-18(26)13-8-9-16(25)23(28-5)22(13)29-21(15)17/h6,8-11,25,27H,7H2,1-5H3 | |
| Standard InChI Key: | PZHQEWQFKUTZTQ-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)ccc2c1oc1c(CC=C(C)C)c3OC(C)(C)C=Cc3c(c1c2=O)O | |
Molecular propeties
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| AlogP: | 5.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 408.16 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.292 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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