17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Internal ID | e45af741-639a-406f-8b0c-b901030ad248 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
IUPAC Name | 17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
SMILES (Canonical) | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
SMILES (Isomeric) | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3 |
InChI Key | HCXVJBMSMIARIN-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C29H48O |
Molecular Weight | 412.70 g/mol |
Exact Mass | 412.370516150 g/mol |
Topological Polar Surface Area (TPSA) | 20.20 Ų |
XlogP | 8.60 |
32345-19-0 |
MFCD00003630 |
SY037152 |
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 | 98.24% | 96.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 97.13% | 95.93% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.46% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 95.14% | 98.95% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.52% | 90.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.09% | 94.45% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.02% | 100.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.80% | 91.11% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.67% | 95.89% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.34% | 93.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.05% | 97.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.02% | 90.71% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.95% | 100.00% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 84.89% | 98.35% |
CHEMBL236 | P41143 | Delta opioid receptor | 83.29% | 99.35% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.42% | 95.89% |
CHEMBL1871 | P10275 | Androgen Receptor | 80.52% | 96.43% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.39% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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PubChem | 122544 |
LOTUS | LTS0024262 |
wikiData | Q104167717 |