Crocetin
Representations & DB's id
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| ChEBI: | CHEBI:3918 | |
|---|---|---|
| ChEMBL: | CHEMBL464792 | |
| PubChem: | 5281232 | |
| IUPAC: | (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid | |
| Standard InChI: | InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+ | |
| Standard InChI Key: | PANKHBYNKQNAHN-MQQNZMFNSA-N | |
| SMILES: | C/C(=CC=CC=C(C=CC=C(C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)C | |
Molecular propeties
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| AlogP: | 4.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 0 | |
| Molecular Weight: | 328.17 | |
| Topological polar surface area: | 74.6 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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