Cumingianoside C
| Internal ID | d7a0db6f-1885-4da0-9ad6-b3a84beb3e79 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(2R,3S,4S,5R,6R)-6-[[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-7-acetyloxy-15-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H68O12/c1-21(17-25(44)34(48)37(6,7)49-10)24-11-16-41-20-40(24,41)15-12-27-38(8)14-13-29(51-23(3)43)36(4,5)28(38)18-30(39(27,41)9)53-35-33(47)32(46)31(45)26(52-35)19-50-22(2)42/h21,24-35,44-48H,11-20H2,1-10H3/t21-,24-,25+,26+,27+,28-,29+,30+,31+,32-,33+,34-,35-,38+,39-,40+,41+/m0/s1 |
| InChI Key | TZKXHZFZNDJTCA-DHCGTJORSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C41H68O12 |
| Molecular Weight | 753.00 g/mol |
| Exact Mass | 752.47107760 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | 4.50 |
| CHEBI:65691 |
| (3alpha,7alpha,17alpha,20S,23R,24S)-7-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-23,24-dihydroxy-25-methoxy-13,30-cyclodammaran-3-yl acetate |
| [(2R,3S,4S,5R,6R)-6-[[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-7-acetyloxy-15-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| ((2R,3S,4S,5R,6R)-6-(((1S,2R,3R,5R,7R,10S,11R,14R,15S)-7-acetyloxy-15-((2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl)-2,6,6,10-tetramethyl-3-pentacyclo(12.3.1.01,14.02,11.05,10)octadecanyl)oxy)-3,4,5-trihydroxyoxan-2-yl)methyl acetate |
| (3alpha,7alpha,17alpha,20S,23R,24S)-7-((6-O-acetyl-beta-D-glucopyranosyl)oxy)-23,24-dihydroxy-25-methoxy-13,30-cyclodammaran-3-yl acetate |
| RefChem:128782 |
| CHEMBL503335 |
| Q27134175 |
| 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 | 99.70% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.81% | 96.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 96.70% | 95.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.40% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.93% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 94.74% | 96.47% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.16% | 98.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.83% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.61% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 93.14% | 98.75% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.26% | 95.58% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.73% | 94.45% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 91.41% | 97.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.01% | 98.95% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 89.53% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.72% | 94.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.65% | 89.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.82% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 87.75% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.64% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.26% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.12% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.02% | 100.00% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 86.52% | 92.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.98% | 100.00% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 85.71% | 95.36% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.18% | 82.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.17% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.80% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.54% | 93.04% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.28% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.20% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.76% | 95.17% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.43% | 85.31% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.97% | 99.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.64% | 91.07% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.60% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.57% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.48% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.44% | 92.86% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.18% | 96.43% |
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.
| Epicharis cumingiana |
| PubChem | 9987638 |
| NPASS | NPC191915 |
| ChEMBL | CHEMBL503335 |
| LOTUS | LTS0206989 |
| wikiData | Q27134175 |