Cratoxyarborenone C
Representations & DB's id
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| ChEBI: | CHEBI:65673 | |
|---|---|---|
| ChEMBL: | CHEMBL459105 | |
| PubChem: | 10342293 | |
| IUPAC: | 1,3-dihydroxy-5,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one | |
| Standard InChI: | InChI=1S/C25H28O6/c1-13(2)7-9-15-17(26)11-19-22(23(15)27)24(28)21-16(10-8-14(3)4)18(29-5)12-20(30-6)25(21)31-19/h7-8,11-12,26-27H,9-10H2,1-6H3 | |
| Standard InChI Key: | PGWGLEHDWSDHBH-UHFFFAOYSA-N | |
| SMILES: | COc1cc(OC)c2c(c1CC=C(C)C)c(=O)c1c(o2)cc(c(c1O)CC=C(C)C)O | |
Molecular propeties
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| AlogP: | 5.39 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 424.19 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.32 | |
| Number of carbons: | 25 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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