(5S,6R,8xi,9beta)-10,14-dimethyl-1,7,23-trioxo-5,6-epoxy-4,9-cyclo-9,10-secocholest-24-ene-9-carbaldehyde
| Internal ID | a482a850-84c8-4f51-99be-70598d7fc6bd |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > 14-alpha-methylsteroids |
| IUPAC Name | (1R,7S,9R,12S,15R,16R)-6,6,12,16-tetramethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-5,10-dioxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane-1-carbaldehyde |
| SMILES (Canonical) | CC(CC(=O)C=C(C)C)C1CCC2(C1(CCC3(C2C(=O)C4C5(C3CCC(=O)C5(C)C)O4)C=O)C)C |
| SMILES (Isomeric) | C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3(C2C(=O)[C@H]4[C@@]5(C3CCC(=O)C5(C)C)O4)C=O)C)C |
| InChI | InChI=1S/C30H42O5/c1-17(2)14-19(32)15-18(3)20-10-11-28(7)24-23(34)25-30(35-25)21(8-9-22(33)26(30,4)5)29(24,16-31)13-12-27(20,28)6/h14,16,18,20-21,24-25H,8-13,15H2,1-7H3/t18-,20-,21?,24?,25+,27-,28+,29-,30-/m1/s1 |
| InChI Key | QWTHMZHAIKJOPN-JBINIDSTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H42O5 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 80.80 Ų |
| XlogP | 4.60 |
| [(1R)-1,5-dimethyl-3-oxo-hex-4-enyl]-tetramethyl-dioxo-[?]carbaldehyde |
| (5S,6R,8xi,9beta)-10,14-dimethyl-1,7,23-trioxo-5,6-epoxy-4,9-cyclo-9,10-secocholest-24-ene-9-carbaldehyde |
| 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 | 97.20% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.44% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.76% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.16% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.98% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.95% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.87% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.58% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.12% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.10% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.69% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.92% | 90.71% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.23% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.02% | 92.62% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.84% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.62% | 91.19% |
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.
| Momordica charantia |
| PubChem | 49768536 |
| LOTUS | LTS0092893 |
| wikiData | Q105229388 |