5,13-dihydroxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,4,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-one
| Internal ID | b83ddf5a-c1e0-48ab-993b-abd721174214 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | 5,13-dihydroxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,4,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-one |
| SMILES (Canonical) | CC1CCC2(CCC3(C(=C(C(C4C3(CC(C5C4(CCC(=O)C5C)C)O)C)OC)O)C2C1C)C)C |
| SMILES (Isomeric) | CC1CCC2(CCC3(C(=C(C(C4C3(CC(C5C4(CCC(=O)C5C)C)O)C)OC)O)C2C1C)C)C |
| InChI | InChI=1S/C30H48O4/c1-16-9-11-27(4)13-14-29(6)23(22(27)17(16)2)24(33)25(34-8)26-28(5)12-10-19(31)18(3)21(28)20(32)15-30(26,29)7/h16-18,20-22,25-26,32-33H,9-15H2,1-8H3 |
| InChI Key | WLXAUCPTPZKENU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.70 g/mol |
| Exact Mass | 472.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.29% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.46% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.89% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.57% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.66% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.73% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.78% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.58% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.62% | 94.78% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.33% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.59% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.87% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.83% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.61% | 97.25% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 85.40% | 91.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.87% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.45% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.41% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.30% | 93.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.29% | 92.88% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.36% | 91.07% |
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.
| Hintonia latiflora |
| Microtropis japonica |
| PubChem | 74960353 |
| LOTUS | LTS0172103 |
| wikiData | Q103813520 |