1,24-Tetracosanediol Diferulate
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL443415 | |
| PubChem: | 11967021 | |
| IUPAC: | 24-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxytetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | |
| Standard InChI: | InChI=1S/C44H66O8/c1-49-41-35-37(25-29-39(41)45)27-31-43(47)51-33-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-34-52-44(48)32-28-38-26-30-40(46)42(36-38)50-2/h25-32,35-36,45-46H,3-24,33-34H2,1-2H3/b31-27+,32-28+ | |
| Standard InChI Key: | JVYGWGTXGGTEAZ-WWQQVGJXSA-N | |
| SMILES: | COc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O | |
Molecular propeties
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| AlogP: | 11.51 | |
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| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 31 | |
| Number of rings: | 2 | |
| Molecular Weight: | 722.48 | |
| Topological polar surface area: | 112 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.591 | |
| Number of carbons: | 44 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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