(3S,6aR,6bS,8aR,12aS,14aR,14bR)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-5-one
| Internal ID | 06b69ef8-13f9-4184-b1a1-de8fa55da08d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3S,6aR,6bS,8aR,12aS,14aR,14bR)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20,22-24,32H,10-18H2,1-8H3/t20-,22-,23+,24?,27-,28-,29-,30-/m1/s1 |
| InChI Key | JOZYDRGQGVTMSG-SFXLBNCLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 7.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.17% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.58% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.72% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.29% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.21% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 90.60% | 94.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.63% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.92% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.22% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.70% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.24% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.14% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.17% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.11% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.69% | 93.00% |
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.
| Reissantia buchananii |
| PubChem | 44566912 |
| LOTUS | LTS0195025 |
| wikiData | Q105132609 |