Kuguacin K
| Internal ID | 07961ac9-b4bb-4351-b7c0-38ab074cce34 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > 14-alpha-methylsteroids |
| IUPAC Name | (2S)-2-[(1R,7S,9S,12S,15R,16R)-1-formyl-6,6,12,16-tetramethyl-5,10-dioxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl]propanoic acid |
| SMILES (Canonical) | CC(C1CCC2(C1(CCC3(C2C(=O)C4C5(C3CCC(=O)C5(C)C)O4)C=O)C)C)C(=O)O |
| SMILES (Isomeric) | C[C@@H]([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)C(=O)O |
| InChI | InChI=1S/C25H34O6/c1-13(20(29)30)14-8-9-23(5)18-17(28)19-25(31-19)15(6-7-16(27)21(25,2)3)24(18,12-26)11-10-22(14,23)4/h12-15,18-19H,6-11H2,1-5H3,(H,29,30)/t13-,14+,15?,18?,19+,22+,23-,24+,25+/m0/s1 |
| InChI Key | JPATUKPENSZMCZ-JYODVAKASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H34O6 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.80 |
| (2S)-2-(formyl-tetramethyl-dioxo-[?]yl)propanoic acid |
| 2-[(4aS,5aS,6bS,9R,9aR,11aR)-11a-Formyl-4,4,6b,9a-tetramethyl-3,6-dioxohexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-9-yl]propanoic acid |
| 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 | 95.82% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.02% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.28% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.83% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.29% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.16% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.44% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.01% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.32% | 96.09% |
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 | 49768547 |
| LOTUS | LTS0249415 |
| wikiData | Q105132631 |