5-(5-Hydroxy-3-methylpentyl)-1,5,6-trimethyl-2,3,4,4a,6,7-hexahydronaphthalene-1-carboxylic acid
| Internal ID | 53892c54-7943-46df-9558-de2459cffabf |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 5-(5-hydroxy-3-methylpentyl)-1,5,6-trimethyl-2,3,4,4a,6,7-hexahydronaphthalene-1-carboxylic acid |
| SMILES (Canonical) | CC1CC=C2C(C1(C)CCC(C)CCO)CCCC2(C)C(=O)O |
| SMILES (Isomeric) | CC1CC=C2C(C1(C)CCC(C)CCO)CCCC2(C)C(=O)O |
| InChI | InChI=1S/C20H34O3/c1-14(10-13-21)9-12-19(3)15(2)7-8-17-16(19)6-5-11-20(17,4)18(22)23/h8,14-16,21H,5-7,9-13H2,1-4H3,(H,22,23) |
| InChI Key | PHBNWBMJJWMICH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.64% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.14% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.77% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.43% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.88% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.79% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.04% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.35% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.28% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.72% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.13% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.13% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.71% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.57% | 91.19% |
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.
| Haplopappus pulchellus |
| Koanophyllon conglobatum |
| PubChem | 162956322 |
| LOTUS | LTS0080479 |
| wikiData | Q105208858 |