Methyl 2-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylate
| Internal ID | 48bf7f00-247c-4402-87b7-158fb6adf839 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | methyl 2-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylate |
| SMILES (Canonical) | CC12CCCC(C1CC(C34C2CC5C(C3)C5(C4)C)O)(C)C(=O)OC |
| SMILES (Isomeric) | CC12CCCC(C1CC(C34C2CC5C(C3)C5(C4)C)O)(C)C(=O)OC |
| InChI | InChI=1S/C21H32O3/c1-18-6-5-7-19(2,17(23)24-4)14(18)9-16(22)21-10-13-12(8-15(18)21)20(13,3)11-21/h12-16,22H,5-11H2,1-4H3 |
| InChI Key | FHAKHBBLAZVFBS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O3 |
| Molecular Weight | 332.50 g/mol |
| Exact Mass | 332.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of Methyl 2-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2-hydroxy-5913-trimethylpentacyclo1121011004901214hexadecane-5-carboxylate.jpg "2D Structure of Methyl 2-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.78% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.97% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.03% | 83.82% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.14% | 96.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.05% | 96.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.09% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.62% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.28% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.63% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.01% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.74% | 98.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.63% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.24% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.96% | 91.07% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.96% | 85.31% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.90% | 95.38% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.43% | 97.93% |
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 occidentalis |
| PubChem | 162984052 |
| LOTUS | LTS0153875 |
| wikiData | Q104995154 |