4,4,6a,6b,8a,11,11,14b-Octamethyl-3-propoxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene
| Internal ID | 87c728f5-8d3e-4b7b-a249-1c1c145a6deb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 4,4,6a,6b,8a,11,11,14b-octamethyl-3-propoxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H56O/c1-10-21-34-27-14-15-31(7)25(29(27,4)5)13-16-33(9)26(31)12-11-23-24-22-28(2,3)17-18-30(24,6)19-20-32(23,33)8/h11,24-27H,10,12-22H2,1-9H3 |
| InChI Key | CWLVAANGAZWZPU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H56O |
| Molecular Weight | 468.80 g/mol |
| Exact Mass | 468.433116406 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 10.60 |
| There are no found synonyms. |
| 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 | 95.45% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.35% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.09% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.15% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.54% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.18% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.97% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.72% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.68% | 95.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.09% | 95.89% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 87.66% | 90.24% |
| CHEMBL240 | Q12809 | HERG | 85.33% | 89.76% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.55% | 85.30% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.50% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.56% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.67% | 96.77% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.84% | 94.78% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.44% | 92.94% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.17% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.14% | 100.00% |
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.
| Erythrina sigmoidea |
| PubChem | 162921685 |
| LOTUS | LTS0062812 |
| wikiData | Q104971363 |