Arthrinic acid
| Internal ID | 315ed718-e135-4a75-8c80-72746491afda |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids |
| IUPAC Name | (6E,10E,14E,18E,20E)-2,3,5,9,13,17-hexahydroxy-20-(hydroxymethyl)-14,16,18,22,24-pentamethylhexacosa-6,10,14,18,20-pentaenoic acid |
| SMILES (Canonical) | CCC(C)CC(C)C=C(CO)C=C(C)C(C(C)C=C(C)C(CC=CC(CC=CC(CC(C(C(=O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CCC(C)CC(C)/C=C(/CO)\C=C(/C)\C(C(C)/C=C(\C)/C(C/C=C/C(C/C=C/C(CC(C(C(=O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C32H54O9/c1-7-20(2)14-21(3)15-25(19-33)17-24(6)30(38)23(5)16-22(4)28(36)13-9-11-26(34)10-8-12-27(35)18-29(37)31(39)32(40)41/h8-9,11-12,15-17,20-21,23,26-31,33-39H,7,10,13-14,18-19H2,1-6H3,(H,40,41)/b11-9+,12-8+,22-16+,24-17+,25-15+ |
| InChI Key | VTIWIBQZTPEOSH-ZQZRMASVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H54O9 |
| Molecular Weight | 582.80 g/mol |
| Exact Mass | 582.37678330 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 3.70 |
| 1078129-65-3 |
| (6e,10e,14e,18e,20e)-2,3,5,9,13,17-hexahydroxy-20-(hydroxymethyl)-14,16,18,22,24-pentamethylhexacosa-6,10,14,18,20-pentaenoic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.67% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.57% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.04% | 93.56% |
| CHEMBL268 | P43235 | Cathepsin K | 89.89% | 96.85% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.22% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.30% | 85.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.11% | 93.10% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.84% | 97.64% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.57% | 98.35% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.58% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.92% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.59% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.27% | 83.82% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.16% | 96.61% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.08% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.61% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.03% | 96.95% |
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 | 25105203 |
| LOTUS | LTS0178939 |
| wikiData | Q77386637 |