Helichrysetin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL507998 | |
| PubChem: | 6253344 | |
| IUPAC: | (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C16H14O5/c1-21-15-9-12(18)8-14(20)16(15)13(19)7-4-10-2-5-11(17)6-3-10/h2-9,17-18,20H,1H3/b7-4+ | |
| Standard InChI Key: | OWGUBYRKZATRIT-QPJJXVBHSA-N | |
| SMILES: | COc1cc(O)cc(c1C(=O)/C=C/c1ccc(cc1)O)O | |
Molecular propeties
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| AlogP: | 2.71 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 286.08 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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