Caftaric Acid
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL558557 | |
| PubChem: | 6440397 | |
| IUPAC: | (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid | |
| Standard InChI: | InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1 | |
| Standard InChI Key: | SWGKAHCIOQPKFW-JTNORFRNSA-N | |
| SMILES: | O=C(O[C@H]([C@H](C(=O)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | -0.45 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 1 | |
| Molecular Weight: | 312.05 | |
| Topological polar surface area: | 162 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.154 | |
| Number of carbons: | 13 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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