10-Hydroxy-5,9,14-trimethyl-6-(2-methylpropanoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
| Internal ID | 19c15e04-7ba1-4e57-af88-a16fb7288f40 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 10-hydroxy-5,9,14-trimethyl-6-(2-methylpropanoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid |
| SMILES (Canonical) | CC1=CC23CCC4C(C2(CCC1C3)O)(CCC(C4(C)C(=O)O)OC(=O)C(C)C)C |
| SMILES (Isomeric) | CC1=CC23CCC4C(C2(CCC1C3)O)(CCC(C4(C)C(=O)O)OC(=O)C(C)C)C |
| InChI | InChI=1S/C24H36O5/c1-14(2)19(25)29-18-8-9-21(4)17(22(18,5)20(26)27)7-10-23-12-15(3)16(13-23)6-11-24(21,23)28/h12,14,16-18,28H,6-11,13H2,1-5H3,(H,26,27) |
| InChI Key | ISOHYHVXOVWOIT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O5 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-5,9,14-trimethyl-6-(2-methylpropanoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/15b44ef0-8145-11ee-8405-9b0dfe66d690.jpg "2D Structure of 10-Hydroxy-5,9,14-trimethyl-6-(2-methylpropanoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.07% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.22% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.96% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.08% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.89% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.86% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 83.71% | 97.50% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.18% | 93.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.30% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.08% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.37% | 93.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.19% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.03% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.02% | 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.
| Polymnia canadensis |
| PubChem | 162845515 |
| LOTUS | LTS0260926 |
| wikiData | Q105119658 |