Combretum caffrum
Representations & DB's id
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| ChEBI: | CHEBI:1368 | |
|---|---|---|
| ChEMBL: | CHEMBL451476 | |
| PubChem: | 5281860 | |
| IUPAC: | 6-hydroxy-7,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione | |
| Standard InChI: | InChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3 | |
| Standard InChI Key: | LXEQIOGTMDLLEC-UHFFFAOYSA-N | |
| SMILES: | COc1c(OC)cc2c3c1oc(=O)c1c3c(oc2=O)c(c(c1)O)OC | |
Molecular propeties
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| AlogP: | 2.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 344.05 | |
| Topological polar surface area: | 101 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.176 | |
| Number of carbons: | 17 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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