Thamnosmonin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL498094 | |
| PubChem: | 312089 | |
| IUPAC: | 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one | |
| Standard InChI: | InChI=1S/C15H16O5/c1-8(2)14(17)15(18)10-6-9-4-5-13(16)20-11(9)7-12(10)19-3/h4-7,14-15,17-18H,1H2,2-3H3 | |
| Standard InChI Key: | PMZIJDMODGMWOR-UHFFFAOYSA-N | |
| SMILES: | COc1cc2oc(=O)ccc2cc1C(C(C(=C)C)O)O | |
Molecular propeties
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| AlogP: | 1.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 276.1 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.267 | |
| Number of carbons: | 15 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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