4-(3,4,5-Trimethoxyphenethyl)-2-Methoxyphenol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL216091 | |
| PubChem: | 14353469 | |
| IUPAC: | 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol | |
| Standard InChI: | InChI=1S/C18H22O5/c1-20-15-9-12(7-8-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3 | |
| Standard InChI Key: | NRAJPMHEOBLUQC-UHFFFAOYSA-N | |
| SMILES: | COc1cc(CCc2ccc(c(c2)OC)O)cc(c1OC)OC | |
Molecular propeties
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| AlogP: | 3.21 | |
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| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 318.15 | |
| Topological polar surface area: | 57.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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