8-(6-Methoxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
| Internal ID | 5df14654-81e3-444e-94e1-547dbca4b22c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cucurbitacins |
| IUPAC Name | 8-(6-methoxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol |
| SMILES (Canonical) | CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4)C)C |
| SMILES (Isomeric) | CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4)C)C |
| InChI | InChI=1S/C31H50O3/c1-21(10-9-15-26(2,3)33-8)22-13-16-29(7)23-14-17-31-24(11-12-25(32)27(31,4)5)30(23,20-34-31)19-18-28(22,29)6/h9,14-15,17,21-25,32H,10-13,16,18-20H2,1-8H3 |
| InChI Key | VQRZZBXVRJGWRS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50O3 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 6.70 |
| 81910-39-6 |
![2D Structure of 8-(6-Methoxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3ca3a9e0-85aa-11ee-9d22-c11d52a6672d.jpg "2D Structure of 8-(6-Methoxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.93% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.48% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.10% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.42% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.06% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.73% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.01% | 96.77% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.69% | 91.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.42% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.26% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.21% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.63% | 97.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.76% | 97.28% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.41% | 91.07% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.30% | 92.88% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.95% | 96.25% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.91% | 91.24% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.75% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.57% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.22% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 82.12% | 97.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.03% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.89% | 97.14% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.80% | 95.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.08% | 97.93% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.61% | 89.50% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 80.56% | 87.16% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.38% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.07% | 100.00% |
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.
| Momordica charantia |
| PubChem | 124222309 |
| LOTUS | LTS0202941 |
| wikiData | Q105291461 |