Momordicoside D
Internal ID | ae2b7b83-5a14-4cce-82d1-1339a21b579b |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins > Cucurbitacin glycosides |
IUPAC Name | 2-[[6-[[17-(3,4-dihydroxy-6-methylhept-5-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]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | CC(C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C)C(C(C=C(C)C)O)O |
SMILES (Isomeric) | CC(C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C)C(C(C=C(C)C)O)O |
InChI | InChI=1S/C42H70O13/c1-20(2)17-25(44)30(45)21(3)22-13-14-42(8)28-11-9-23-24(40(28,6)15-16-41(22,42)7)10-12-29(39(23,4)5)55-38-36(51)34(49)32(47)27(54-38)19-52-37-35(50)33(48)31(46)26(18-43)53-37/h9,17,21-22,24-38,43-51H,10-16,18-19H2,1-8H3 |
InChI Key | MIVTTWSEHJAYFE-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C42H70O13 |
Molecular Weight | 783.00 g/mol |
Exact Mass | 782.48164228 g/mol |
Topological Polar Surface Area (TPSA) | 219.00 Ų |
XlogP | 3.20 |
CHEBI:185868 |
DTXSID401109255 |
(3beta,9beta,10alpha)-22,23-Dihydroxy-9-methyl-19-norlanosta-5,24-dien-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
2-[[6-[[17-(3,4-dihydroxy-6-methylhept-5-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]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
78887-73-7 |
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 | 99.02% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.97% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.83% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.10% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.42% | 98.95% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.99% | 90.17% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.36% | 96.21% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.76% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.73% | 90.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 86.30% | 95.93% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.39% | 86.33% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.00% | 100.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.61% | 100.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.33% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.14% | 94.45% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.24% | 93.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.15% | 89.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.96% | 94.73% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.40% | 92.62% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.15% | 97.14% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.82% | 96.61% |
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 | 131751649 |
LOTUS | LTS0100265 |
wikiData | Q105165251 |