Carneic Acid B
| Internal ID | bcc25858-266d-418d-ae78-21622698c4fb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1 |
| InChI Key | YGIXVFNOSSPFLR-RYAGCBDWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H30O4 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 2.90 |
| CHEMBL498066 |
| DTXSID801099488 |
| (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-5-hydroxy-2-[(1E)-3-hydroxy-1-methyl-1-propen-1-yl]-3,8-dimethyl-1-naphthalenyl]-2,4-pentadienoic acid |
| (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid |
| 910468-90-5 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.43% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.26% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.63% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.71% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.24% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.40% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.59% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.11% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.52% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.49% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 16083153 |
| LOTUS | LTS0097867 |
| wikiData | Q75062966 |