momordicoside F2
Internal ID | 973c9f21-324f-4f23-8e54-b289cf83fe9d |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins > Cucurbitacin glycosides |
IUPAC Name | (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-hydroxy-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-yl]oxy]oxane-3,4,5-triol |
SMILES (Canonical) | CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC4)C)C |
SMILES (Isomeric) | C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@]5([C@H]3CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)OC4)C)C |
InChI | InChI=1S/C36H58O8/c1-21(9-8-14-31(2,3)41)22-12-15-34(7)24-13-16-36-25(35(24,20-42-36)18-17-33(22,34)6)10-11-26(32(36,4)5)44-30-29(40)28(39)27(38)23(19-37)43-30/h8,13-14,16,21-30,37-41H,9-12,15,17-20H2,1-7H3/b14-8+/t21-,22-,23-,24+,25+,26+,27-,28-,29-,30+,33-,34+,35+,36-/m1/s1 |
InChI Key | KJEYALWPYVKAPR-YBZIVOIYSA-N |
Popularity | 3 references in papers |
Molecular Formula | C36H58O8 |
Molecular Weight | 618.80 g/mol |
Exact Mass | 618.41316880 g/mol |
Topological Polar Surface Area (TPSA) | 129.00 Ų |
XlogP | 4.60 |
CHEMBL245260 |
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 | 98.91% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.11% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.58% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 96.32% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.01% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.64% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.29% | 97.09% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 91.92% | 100.00% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 91.02% | 97.47% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.09% | 91.03% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.40% | 100.00% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.27% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.50% | 89.00% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.54% | 92.88% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.41% | 93.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.07% | 96.77% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.35% | 92.86% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.21% | 86.33% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.49% | 91.24% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.46% | 89.05% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.21% | 97.28% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.08% | 89.50% |
CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 83.83% | 97.88% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.82% | 98.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.61% | 95.56% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.41% | 97.14% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 83.35% | 97.79% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.29% | 96.21% |
CHEMBL1977 | P11473 | Vitamin D receptor | 83.20% | 99.43% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.06% | 92.62% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.76% | 82.50% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.63% | 100.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.63% | 96.47% |
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 | 44445567 |
LOTUS | LTS0226611 |
wikiData | Q105141820 |