8-(6-Hydroxy-6-methylhept-4-en-2-yl)-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
Internal ID | 103d2c62-e7c6-404f-b988-ec89ba975dc2 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cucurbitacins |
IUPAC Name | 8-(6-hydroxy-6-methylhept-4-en-2-yl)-19-methoxy-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)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4OC)C)C |
SMILES (Isomeric) | CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4OC)C)C |
InChI | InChI=1S/C31H50O4/c1-20(10-9-15-26(2,3)33)21-13-16-29(7)22-14-17-31-23(11-12-24(32)27(31,4)5)30(22,25(34-8)35-31)19-18-28(21,29)6/h9,14-15,17,20-25,32-33H,10-13,16,18-19H2,1-8H3 |
InChI Key | LZKVXEZYUAJCDF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H50O4 |
Molecular Weight | 486.70 g/mol |
Exact Mass | 486.37091007 g/mol |
Topological Polar Surface Area (TPSA) | 58.90 Ų |
XlogP | 6.20 |
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 | 98.34% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.19% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.95% | 97.25% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.72% | 95.89% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 93.55% | 97.79% |
CHEMBL2581 | P07339 | Cathepsin D | 92.91% | 98.95% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 92.18% | 92.88% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.81% | 85.31% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.67% | 94.45% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.86% | 91.07% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 89.95% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.45% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.34% | 86.33% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.27% | 91.03% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.07% | 92.62% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.96% | 96.61% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.92% | 100.00% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.07% | 100.00% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.35% | 97.28% |
CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.83% | 95.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.18% | 95.56% |
CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.82% | 97.50% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.41% | 95.17% |
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 | 73007688 |
LOTUS | LTS0250982 |
wikiData | Q105159960 |