Cratoxyarborenone E
Representations & DB's id
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| ChEBI: | CHEBI:65675 | |
|---|---|---|
| ChEMBL: | CHEMBL462716 | |
| PubChem: | 5323543 | |
| IUPAC: | 1,3,7-trihydroxy-6-methoxy-4,5-bis(3-methylbut-2-enyl)xanthen-9-one | |
| Standard InChI: | InChI=1S/C24H26O6/c1-12(2)6-8-14-17(25)11-18(26)20-21(28)16-10-19(27)23(29-5)15(9-7-13(3)4)22(16)30-24(14)20/h6-7,10-11,25-27H,8-9H2,1-5H3 | |
| Standard InChI Key: | CJBZJZGULKATPY-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc2c(c1CC=C(C)C)oc1c(c2=O)c(O)cc(c1CC=C(C)C)O | |
Molecular propeties
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| AlogP: | 5.09 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 410.17 | |
| Topological polar surface area: | 96.2 | |
| 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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