Karaviloside II
Internal ID | aeae6f90-ee05-45fa-97d4-e0c322c41d6f |
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-[[(3S,7S,8R,9S,10S,13R,14S,17R)-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol |
SMILES (Canonical) | CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)OC)C)C)C |
SMILES (Isomeric) | C[C@H](C/C=C/C(C)(C)OC)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2[C@H](C=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)OC)C)C)C |
InChI | InChI=1S/C38H64O8/c1-22(12-11-16-34(2,3)44-10)23-15-17-38(8)32-26(43-9)20-25-24(36(32,6)18-19-37(23,38)7)13-14-28(35(25,4)5)46-33-31(42)30(41)29(40)27(21-39)45-33/h11,16,20,22-24,26-33,39-42H,12-15,17-19,21H2,1-10H3/b16-11+/t22-,23-,24-,26+,27-,28+,29-,30-,31-,32-,33+,36+,37-,38+/m1/s1 |
InChI Key | YCUBHAWXGLKZIA-GVUMCDOJSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C38H64O8 |
Molecular Weight | 648.90 g/mol |
Exact Mass | 648.46011900 g/mol |
Topological Polar Surface Area (TPSA) | 118.00 Ų |
XlogP | 5.80 |
(2R,3S,4R,5R,6R)-2-(Hydroxymethyl)-6-[[(3S,7S,8R,9S,10S,13R,14S,17R)-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol |
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 | 98.33% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.47% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.42% | 97.25% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.94% | 96.61% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.14% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.09% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.91% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.58% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 88.45% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.33% | 86.33% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.94% | 91.07% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.50% | 100.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.23% | 97.36% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.94% | 97.14% |
CHEMBL1977 | P11473 | Vitamin D receptor | 84.49% | 99.43% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.16% | 100.00% |
CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 83.62% | 97.88% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.52% | 97.28% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.21% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.08% | 89.00% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.31% | 91.03% |
CHEMBL5028 | O14672 | ADAM10 | 81.02% | 97.50% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.57% | 92.62% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.19% | 93.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.18% | 95.89% |
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 | 16093694 |
LOTUS | LTS0197354 |
wikiData | Q105346496 |