Cratoxyarborenone B
Representations & DB's id
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| ChEBI: | CHEBI:65672 | |
|---|---|---|
| ChEMBL: | CHEMBL465407 | |
| PubChem: | 10475842 | |
| IUPAC: | 1,3,5,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one | |
| Standard InChI: | InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-17(26)23-19(13)22(28)20-18(29-23)10-16(25)14(21(20)27)8-6-12(3)4/h5-6,9-10,24-27H,7-8H2,1-4H3 | |
| Standard InChI Key: | AVGUAOZYPIBDIZ-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1c(O)cc2c(c1O)c(=O)c1c(o2)c(O)cc(c1CC=C(C)C)O)C | |
Molecular propeties
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| AlogP: | 4.79 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 396.16 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.304 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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