14-(Acetyloxymethyl)-14-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
| Internal ID | 0d69588a-e51f-48c0-bf58-53c713966514 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 14-(acetyloxymethyl)-14-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | CC(=O)OCC1(CC23CCC4C(C2CCC1C3)(CCCC4(C)C(=O)O)C)O |
| SMILES (Isomeric) | CC(=O)OCC1(CC23CCC4C(C2CCC1C3)(CCCC4(C)C(=O)O)C)O |
| InChI | InChI=1S/C22H34O5/c1-14(23)27-13-22(26)12-21-10-7-16-19(2,17(21)6-5-15(22)11-21)8-4-9-20(16,3)18(24)25/h15-17,26H,4-13H2,1-3H3,(H,24,25) |
| InChI Key | JLYYLRJNDUJLOW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O5 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 14-(Acetyloxymethyl)-14-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/264bf550-85ea-11ee-b54b-bfc29be7d494.jpg "2D Structure of 14-(Acetyloxymethyl)-14-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.25% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.15% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.62% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.39% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.52% | 96.77% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.01% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.36% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.31% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.39% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.30% | 97.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.09% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.82% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.42% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.32% | 95.89% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.29% | 94.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.01% | 97.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.61% | 82.69% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.08% | 95.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.00% | 90.17% |
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.
| Annona squamosa |
| PubChem | 73193323 |
| LOTUS | LTS0167112 |
| wikiData | Q105131204 |