(6aR,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
| Internal ID | 6e797038-47dc-45e2-b544-cb1ab011329b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (6aR,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(C2C1)CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@@]3([C@@H](C1CC(CC2)(C)C)CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)C5(C)C)C)C)C |
| InChI | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h20-23H,9-19H2,1-8H3/t20-,21?,22?,23-,27-,28+,29-,30-/m1/s1 |
| InChI Key | VMCQTVSSRUGULX-IENLRLFDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 9.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.47% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.34% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.89% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.53% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.53% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.89% | 100.00% |
| CHEMBL204 | P00734 | Thrombin | 86.50% | 96.01% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.57% | 92.98% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.52% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.82% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.44% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.80% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.42% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.16% | 98.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.13% | 94.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.62% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.54% | 95.38% |
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.
| Adiantum capillus-veneris |
| PubChem | 162861354 |
| LOTUS | LTS0075328 |
| wikiData | Q105288903 |