Momordenol
Internal ID | fff0f6ab-d1bb-4be4-aa85-be8403d4c819 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
IUPAC Name | 17-(5-ethyl-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,17-decahydrocyclopenta[a]phenanthren-16-one |
SMILES (Canonical) | CCC(CCC(C)C1C(=O)C=C2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
SMILES (Isomeric) | CCC(CCC(C)C1C(=O)C=C2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
InChI | InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)27-26(31)17-25-23-11-10-21-16-22(30)12-14-28(21,5)24(23)13-15-29(25,27)6/h10,17-20,22-24,27,30H,7-9,11-16H2,1-6H3 |
InChI Key | MEWYFWRPPPAWSI-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C29H46O2 |
Molecular Weight | 426.70 g/mol |
Exact Mass | 426.349780706 g/mol |
Topological Polar Surface Area (TPSA) | 37.30 Ų |
XlogP | 7.30 |
CHEBI:191591 |
17-(5-ethyl-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,17-decahydrocyclopenta[a]phenanthren-16-one |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 97.02% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.96% | 97.25% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 92.20% | 95.93% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.41% | 90.71% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.53% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.37% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.47% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.03% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.70% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.08% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.22% | 95.89% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.83% | 94.75% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.80% | 93.56% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.24% | 90.17% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.63% | 82.69% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.61% | 93.99% |
CHEMBL4072 | P07858 | Cathepsin B | 80.15% | 93.67% |
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 | 85724901 |
LOTUS | LTS0073541 |
wikiData | Q105162464 |