Methyl 5-(2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-3-methylpent-2-enoate
| Internal ID | 1a4b36b2-c6ee-4ff8-a574-ee9e51e80948 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl 5-(2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)-3-methylpent-2-enoate |
| SMILES (Canonical) | CC1CCC2C(CCCC2(C1CCC(=CC(=O)OC)C)C)(C)C |
| SMILES (Isomeric) | CC1CCC2C(CCCC2(C1CCC(=CC(=O)OC)C)C)(C)C |
| InChI | InChI=1S/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h14,16-18H,7-13H2,1-6H3 |
| InChI Key | KUFCXCJOXPZWCV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O2 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 7.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.50% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.55% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.63% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.96% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.24% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.31% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.74% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.06% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.05% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.32% | 97.93% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.09% | 95.71% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 86.25% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.02% | 94.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.65% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.79% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.39% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.75% | 92.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.55% | 91.07% |
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.
| Colophospermum mopane |
| PubChem | 85241108 |
| LOTUS | LTS0099854 |
| wikiData | Q105146117 |