Momordicilin
Internal ID | d87fb8c4-2ee3-44f4-8443-c87623368dee |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | (4S,4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aR,14bR)-4-[[(E)-2-hydroxyhex-3-en-2-yl]oxymethyl]-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydropicen-3-one |
SMILES (Canonical) | CCC=CC(C)(O)OCC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC5(C4C(C(CC5)C)C)C)C)C)C |
SMILES (Isomeric) | CC/C=C/C(C)(O)OC[C@@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CCC1=O)C)CC[C@H]4[C@]3(CC[C@@]5([C@H]4[C@H]([C@@H](CC5)C)C)C)C)C)C |
InChI | InChI=1S/C36H60O3/c1-10-11-17-36(9,38)39-23-33(6)27-15-20-35(8)28(32(27,5)19-16-29(33)37)13-12-26-30-25(3)24(2)14-18-31(30,4)21-22-34(26,35)7/h11,17,24-28,30,38H,10,12-16,18-23H2,1-9H3/b17-11+/t24-,25+,26-,27-,28-,30+,31-,32+,33-,34-,35-,36?/m1/s1 |
InChI Key | UQBFECUQCTWGFC-RQSRHSMUSA-N |
Popularity | 0 references in papers |
Molecular Formula | C36H60O3 |
Molecular Weight | 540.90 g/mol |
Exact Mass | 540.45424577 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 9.90 |
DTXSID601318014 |
Q6897441 |
189156-40-9 |
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 | 99.66% | 97.25% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.42% | 96.38% |
CHEMBL2581 | P07339 | Cathepsin D | 92.84% | 98.95% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.74% | 82.69% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.73% | 94.75% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.61% | 92.94% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.11% | 94.45% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 91.06% | 97.79% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.83% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.11% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.70% | 86.33% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.16% | 96.61% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.63% | 97.05% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.56% | 100.00% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.44% | 92.88% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.18% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.10% | 91.11% |
CHEMBL233 | P35372 | Mu opioid receptor | 83.94% | 97.93% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.01% | 96.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.03% | 92.62% |
CHEMBL236 | P41143 | Delta opioid receptor | 81.36% | 99.35% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.45% | 95.89% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.23% | 100.00% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.22% | 100.00% |
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 | 102066427 |
LOTUS | LTS0165901 |
wikiData | Q6897441 |