Methyl 3-[12-ethenyl-11-hydroxy-5-(6-methoxy-6-methylhept-4-en-2-yl)-4,8-dimethyl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate
| Internal ID | b0680601-a785-4c54-80fb-82e1374dff5b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 3-[12-ethenyl-11-hydroxy-5-(6-methoxy-6-methylhept-4-en-2-yl)-4,8-dimethyl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H50O4/c1-9-22-24(32)19-25-29(6)15-12-23(21(2)11-10-14-27(3,4)35-8)28(29,5)17-18-31(25)20-30(22,31)16-13-26(33)34-7/h9-10,14,21-25,32H,1,11-13,15-20H2,2-8H3 |
| InChI Key | DMOVFWVMOKYNBH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50O4 |
| Molecular Weight | 486.70 g/mol |
| Exact Mass | 486.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of Methyl 3-[12-ethenyl-11-hydroxy-5-(6-methoxy-6-methylhept-4-en-2-yl)-4,8-dimethyl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/92444bb0-853b-11ee-8919-2d1b0771ff41.jpg "2D Structure of Methyl 3-[12-ethenyl-11-hydroxy-5-(6-methoxy-6-methylhept-4-en-2-yl)-4,8-dimethyl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate")
| 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 | 99.21% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.39% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 97.30% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.35% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 95.19% | 91.07% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.00% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.78% | 97.79% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.99% | 85.31% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.97% | 91.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.76% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.64% | 95.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.56% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.10% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.91% | 91.24% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.70% | 89.34% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.67% | 98.75% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.24% | 94.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.69% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.19% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.80% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.65% | 94.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.54% | 96.95% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 83.86% | 93.85% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.28% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.26% | 89.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.26% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.11% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.69% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.23% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.20% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.06% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.69% | 93.56% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.42% | 100.00% |
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.
| Stenostomum acutatum |
| PubChem | 85407145 |
| LOTUS | LTS0081470 |
| wikiData | Q104985248 |