(S)-3-Methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pentanoic acid
| Internal ID | 7c06a0cb-7ef1-4c5b-9806-ec12e82ef0da |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid |
| SMILES (Canonical) | CC(CCC1C(=C)CCC2C1(CCCC2(C)C)C)CC(=O)O |
| SMILES (Isomeric) | CC(CCC1C(=C)CCC2C1(CCCC2(C)C)C)CC(=O)O |
| InChI | InChI=1S/C20H34O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h14,16-17H,2,6-13H2,1,3-5H3,(H,21,22) |
| InChI Key | NALGVVPRJHXHNM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 6.20 |
| (-)-Eperuic acid |
| Eperuic acid, (-) |
| SCHEMBL22117111 |
| NALGVVPRJHXHNM-UHFFFAOYSA-N |
| 5.beta.,9.beta.H,10.alpha.-Labd-8(20)-en-15-oic acid, (13S)-(-)- |
| (S)-3-Methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pentanoic acid |
| 1-Naphthalenepentanoic acid, decahydro-.beta.,5,5,8a-tetramethyl-2-methylene-, (.beta.S,1R,4aR,8aR)- |
| 1-Naphthalenepentanoic acid, decahydro-.beta.,5,5,8a-tetramethyl-2-methylene-, [1R-[1.alpha.(S*),4a.beta.,8a.alpha.]]- |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.67% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.49% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.40% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.75% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.13% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.64% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.16% | 96.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.74% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.67% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.28% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.14% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.72% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.68% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 80.57% | 97.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.02% | 98.10% |
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.
| Eperua falcata |
| Hymenaea courbaril |
| Moldenhawera nutans |
| PubChem | 12309485 |
| LOTUS | LTS0009345 |
| wikiData | Q105176388 |