[6-[[17-(5-Ethyl-6-methylheptan-2-yl)-10,13,14-trimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trimethyloxan-2-yl]methanol
Internal ID | 22efe072-dc1c-42df-bdb3-da7482fe034d |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
IUPAC Name | [6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13,14-trimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trimethyloxan-2-yl]methanol |
SMILES (Canonical) | CCC(CCC(C)C1CCC2(C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)C)C)C)C)C)C)C(C)C |
SMILES (Isomeric) | CCC(CCC(C)C1CCC2(C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)C)C)C)C)C)C)C(C)C |
InChI | InChI=1S/C39H68O3/c1-11-29(24(2)3)13-12-25(4)32-17-20-39(10)34-15-14-30-22-31(16-19-37(30,8)33(34)18-21-38(32,39)9)41-36-28(7)26(5)27(6)35(23-40)42-36/h14,24-29,31-36,40H,11-13,15-23H2,1-10H3 |
InChI Key | HJGBKHXYIKVUAR-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C39H68O3 |
Molecular Weight | 585.00 g/mol |
Exact Mass | 584.51684603 g/mol |
Topological Polar Surface Area (TPSA) | 38.70 Ų |
XlogP | 11.80 |
There are no found synonyms. |
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 | 99.17% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.86% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.69% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.23% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.22% | 97.09% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 91.80% | 97.79% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.50% | 89.05% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.03% | 95.89% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.69% | 100.00% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.73% | 93.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.26% | 86.33% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 86.72% | 95.93% |
CHEMBL4072 | P07858 | Cathepsin B | 83.86% | 93.67% |
CHEMBL1977 | P11473 | Vitamin D receptor | 83.59% | 99.43% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.90% | 95.89% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.65% | 89.62% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.54% | 90.24% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.03% | 89.00% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.99% | 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.
Euphorbia hirta |
PubChem | 162850899 |
LOTUS | LTS0261296 |
wikiData | Q105029227 |