5-[2-hydroxy-2,5,8a-trimethyl-5-(2-methylbut-2-enoyloxymethyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
| Internal ID | 9b310359-2dca-4098-a2de-9fd920cc861e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5-[2-hydroxy-2,5,8a-trimethyl-5-(2-methylbut-2-enoyloxymethyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid |
| SMILES (Canonical) | CC=C(C)C(=O)OCC1(CCCC2(C1CCC(C2CCC(C)CC(=O)O)(C)O)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OCC1(CCCC2(C1CCC(C2CCC(C)CC(=O)O)(C)O)C)C |
| InChI | InChI=1S/C25H42O5/c1-7-18(3)22(28)30-16-23(4)12-8-13-24(5)19(23)11-14-25(6,29)20(24)10-9-17(2)15-21(26)27/h7,17,19-20,29H,8-16H2,1-6H3,(H,26,27) |
| InChI Key | FRGMVGYYKMAOOX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H42O5 |
| Molecular Weight | 422.60 g/mol |
| Exact Mass | 422.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 5-[2-hydroxy-2,5,8a-trimethyl-5-(2-methylbut-2-enoyloxymethyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/79e7f1b0-86e8-11ee-bbc2-7bdd05cd5528.jpg "2D Structure of 5-[2-hydroxy-2,5,8a-trimethyl-5-(2-methylbut-2-enoyloxymethyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.09% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.47% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.26% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.44% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.70% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.04% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.54% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.16% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.12% | 96.47% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.19% | 94.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.68% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.98% | 96.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.91% | 93.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.53% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.38% | 97.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.75% | 95.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.62% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.67% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.04% | 94.75% |
| CHEMBL5028 | O14672 | ADAM10 | 80.94% | 97.50% |
| CHEMBL268 | P43235 | Cathepsin K | 80.93% | 96.85% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.78% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.78% | 92.50% |
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.
| Olearia teretifolia |
| PubChem | 163036064 |
| LOTUS | LTS0071650 |
| wikiData | Q105000172 |