Methyl 3-[12-ethenyl-11-hydroxy-5-(6-hydroxy-6-methylhept-4-en-2-yl)-4,8-dimethyl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate
| Internal ID | 847964eb-35b3-47ad-9fda-1bc0eed73f9b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 3-[12-ethenyl-11-hydroxy-5-(6-hydroxy-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/C30H48O4/c1-8-21-23(31)18-24-28(6)14-11-22(20(2)10-9-13-26(3,4)33)27(28,5)16-17-30(24)19-29(21,30)15-12-25(32)34-7/h8-9,13,20-24,31,33H,1,10-12,14-19H2,2-7H3 |
| InChI Key | CSTWIVQIGXUJRC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.70 g/mol |
| Exact Mass | 472.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of Methyl 3-[12-ethenyl-11-hydroxy-5-(6-hydroxy-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/2023/11/65a4ef10-8752-11ee-bc62-bd65390b93f9.jpg "2D Structure of Methyl 3-[12-ethenyl-11-hydroxy-5-(6-hydroxy-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 | 99.20% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.57% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.10% | 91.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 95.59% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.86% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.81% | 97.79% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 94.11% | 85.31% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.38% | 95.17% |
| CHEMBL240 | Q12809 | HERG | 93.07% | 89.76% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.73% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.43% | 91.03% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.05% | 95.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 89.17% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.84% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.53% | 90.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.96% | 98.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.35% | 89.34% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.11% | 91.24% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 85.99% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.59% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.26% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.12% | 89.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.39% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.31% | 94.33% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 84.02% | 93.85% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.52% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.34% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.32% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.26% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.00% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.79% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.20% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.06% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.04% | 93.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.76% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.26% | 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 | 85410978 |
| LOTUS | LTS0208250 |
| wikiData | Q104969570 |