24-Dien-11-one
| Internal ID | 7e633e52-1b4e-4794-ba0a-d6d21bbcd376 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cucurbitacins |
| IUPAC Name | (8R,9S,10R,13R,14S,17R)-4,4,13,14-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,9,10,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-one |
| SMILES (Canonical) | CC(CCC=C(C)C)C1CCC2(C1(CC(=O)C3C2CC=C4C3CCCC4(C)C)C)C |
| SMILES (Isomeric) | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@H]3[C@H]2CC=C4[C@@H]3CCCC4(C)C)C)C |
| InChI | InChI=1S/C29H46O/c1-19(2)10-8-11-20(3)22-15-17-28(6)24-14-13-23-21(12-9-16-27(23,4)5)26(24)25(30)18-29(22,28)7/h10,13,20-22,24,26H,8-9,11-12,14-18H2,1-7H3/t20-,21+,22-,24-,26-,28+,29-/m1/s1 |
| InChI Key | MQKIXGKQVTWMES-DQHXPEKOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H46O |
| Molecular Weight | 410.70 g/mol |
| Exact Mass | 410.354866087 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 8.70 |
| CHEMBL563863 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.19% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.90% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.86% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.94% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.45% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.20% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.07% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.45% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.51% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.13% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.73% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.85% | 93.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.56% | 85.30% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.81% | 93.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.40% | 95.93% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.79% | 93.99% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.40% | 89.34% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.39% | 95.50% |
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.
| Cucumis melo |
| PubChem | 45267955 |
| LOTUS | LTS0250010 |
| wikiData | Q105170069 |