2-Hydroxy-4-(2-Hydroxy-4-Methoxy-6-Pentylbenzoyl)Oxy-6-Pentylbenzoic Acid
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL2006643 | |
| PubChem: | 174857 | |
| IUPAC: | 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid | |
| Standard InChI: | InChI=1S/C25H32O7/c1-4-6-8-10-16-13-19(15-20(26)22(16)24(28)29)32-25(30)23-17(11-9-7-5-2)12-18(31-3)14-21(23)27/h12-15,26-27H,4-11H2,1-3H3,(H,28,29) | |
| Standard InChI Key: | UTAQXQVSEKIWBB-UHFFFAOYSA-N | |
| SMILES: | CCCCCc1cc(OC)cc(c1C(=O)Oc1cc(O)c(c(c1)CCCCC)C(=O)O)O | |
Molecular propeties
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| AlogP: | 5.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 12 | |
| Number of rings: | 2 | |
| Molecular Weight: | 444.21 | |
| Topological polar surface area: | 113 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.44 | |
| Number of carbons: | 25 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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