15-Acetyloxy-2,6,12-trimethylpentacyclo[11.2.1.01,10.02,7.012,14]hexadecane-6-carboxylic acid
| Internal ID | 3170770b-7e9a-45d6-a764-1feba2d751c4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids |
| IUPAC Name | 15-acetyloxy-2,6,12-trimethylpentacyclo[11.2.1.01,10.02,7.012,14]hexadecane-6-carboxylic acid |
| SMILES (Canonical) | CC(=O)OC1C2C3C2(CC4C1(C3)C5(CCCC(C5CC4)(C)C(=O)O)C)C |
| SMILES (Isomeric) | CC(=O)OC1C2C3C2(CC4C1(C3)C5(CCCC(C5CC4)(C)C(=O)O)C)C |
| InChI | InChI=1S/C22H32O4/c1-12(23)26-17-16-14-11-22(17)13(10-20(14,16)3)6-7-15-19(2,18(24)25)8-5-9-21(15,22)4/h13-17H,5-11H2,1-4H3,(H,24,25) |
| InChI Key | DKYREMSYQADEHR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O4 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 15-Acetyloxy-2,6,12-trimethylpentacyclo[11.2.1.01,10.02,7.012,14]hexadecane-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/15-acetyloxy-2612-trimethylpentacyclo1121011002701214hexadecane-6-carboxylic-acid.jpg "2D Structure of 15-Acetyloxy-2,6,12-trimethylpentacyclo[11.2.1.01,10.02,7.012,14]hexadecane-6-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 | 94.81% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.53% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.30% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.35% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.66% | 92.94% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.42% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.38% | 93.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.31% | 95.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.16% | 82.69% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.79% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.84% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.72% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.65% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.24% | 96.77% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.80% | 92.50% |
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.
| Echinacea angustifolia |
| Helichrysum fulvum |
| PubChem | 162846250 |
| LOTUS | LTS0116884 |
| wikiData | Q105035147 |