Methyl 15-benzoyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
| Internal ID | dd2bc6a3-0a9d-45e4-ad55-32e8266f66d6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | methyl 15-benzoyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
| SMILES (Canonical) | CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4OC(=O)C5=CC=CC=C5)(C)C(=O)OC |
| SMILES (Isomeric) | CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4OC(=O)C5=CC=CC=C5)(C)C(=O)OC |
| InChI | InChI=1S/C28H36O4/c1-18-20-11-12-22-26(2)14-8-15-27(3,25(30)31-4)21(26)13-16-28(22,17-20)23(18)32-24(29)19-9-6-5-7-10-19/h5-7,9-10,20-23H,1,8,11-17H2,2-4H3 |
| InChI Key | PZYCZXMRIHVUBG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H36O4 |
| Molecular Weight | 436.60 g/mol |
| Exact Mass | 436.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of Methyl 15-benzoyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/73ab0ad0-873d-11ee-8ff9-4579b1c029c6.jpg "2D Structure of Methyl 15-benzoyloxy-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.86% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.78% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.65% | 90.17% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.29% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.31% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.01% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 86.80% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.37% | 100.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.12% | 92.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.59% | 97.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.45% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.21% | 93.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.68% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.38% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.12% | 91.49% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.01% | 91.19% |
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.
| Mikania cordata |
| PubChem | 162995812 |
| LOTUS | LTS0216574 |
| wikiData | Q105217173 |