Methyl 12-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
| Internal ID | 443d27ee-ff22-4bb4-97c2-ce4eb8ee8889 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | methyl 12-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
| SMILES (Canonical) | CC(=O)OC1CC2C3(CCCC(C3CCC24CC1C(=C)C4)(C)C(=O)OC)C |
| SMILES (Isomeric) | CC(=O)OC1CC2C3(CCCC(C3CCC24CC1C(=C)C4)(C)C(=O)OC)C |
| InChI | InChI=1S/C23H34O4/c1-14-12-23-10-7-18-21(3,8-6-9-22(18,4)20(25)26-5)19(23)11-17(16(14)13-23)27-15(2)24/h16-19H,1,6-13H2,2-5H3 |
| InChI Key | VBXAAPVFPVKVFO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O4 |
| Molecular Weight | 374.50 g/mol |
| Exact Mass | 374.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of Methyl 12-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-12-acetyloxy-59-dimethyl-14-methylidenetetracyclo11210110049hexadecane-5-carboxylate.jpg "2D Structure of Methyl 12-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate")
| 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 | 95.60% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.58% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.40% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.57% | 91.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.24% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.73% | 91.19% |
| CHEMBL240 | Q12809 | HERG | 88.62% | 89.76% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.31% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.16% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.67% | 95.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.18% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.72% | 93.03% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.74% | 91.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.36% | 85.14% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.27% | 91.24% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.16% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.67% | 97.09% |
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.
| Helianthus simulans |
| PubChem | 73814457 |
| LOTUS | LTS0079702 |
| wikiData | Q105283531 |