7-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
| Internal ID | 18ec3538-6db4-4133-b23e-6fb0a4835b66 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 7-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
| SMILES (Canonical) | CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(C(CC5(C4CC(CC5)(C)C)C)O)C)C)C)C |
| SMILES (Isomeric) | CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(C(CC5(C4CC(CC5)(C)C)C)O)C)C)C)C |
| InChI | InChI=1S/C30H50O2/c1-19-20(31)9-10-21-27(19,5)12-11-22-28(21,6)15-16-29(7)23-17-25(2,3)13-14-26(23,4)18-24(32)30(22,29)8/h19,21-24,32H,9-18H2,1-8H3 |
| InChI Key | MYVWXXMGILJAQC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 8.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.94% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.26% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.62% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.56% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.01% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.95% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.93% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.39% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.71% | 96.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.31% | 96.77% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.33% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.25% | 92.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.43% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.43% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.73% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.30% | 89.00% |
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.
| Salacia beddomei |
| Salacia chinensis |
| PubChem | 72743667 |
| LOTUS | LTS0121580 |
| wikiData | Q105175220 |