2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-5,6-dimethylheptane-3,4-diol
Internal ID | 15b8eb5c-7f09-47c9-9ae4-70624c2694c4 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives > Hydroxy bile acids, alcohols and derivatives > Trihydroxy bile acids, alcohols and derivatives |
IUPAC Name | 2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-5,6-dimethylheptane-3,4-diol |
SMILES (Canonical) | CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O |
SMILES (Isomeric) | CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O |
InChI | InChI=1S/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3 |
InChI Key | WPHVOXMMNSLJSF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H50O3 |
Molecular Weight | 434.70 g/mol |
Exact Mass | 434.37599545 g/mol |
Topological Polar Surface Area (TPSA) | 60.70 Ų |
XlogP | 7.30 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.97% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.71% | 97.25% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.33% | 96.38% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.67% | 91.11% |
CHEMBL237 | P41145 | Kappa opioid receptor | 90.71% | 98.10% |
CHEMBL2094135 | Q96BI3 | Gamma-secretase | 90.68% | 98.05% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.89% | 94.45% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.56% | 90.17% |
CHEMBL238 | Q01959 | Dopamine transporter | 88.31% | 95.88% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.79% | 100.00% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.49% | 92.88% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.93% | 97.09% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.99% | 92.86% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 83.46% | 97.79% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.29% | 96.77% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.55% | 90.71% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.52% | 89.05% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.20% | 95.89% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.71% | 93.18% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.70% | 93.03% |
CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 81.70% | 99.00% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.33% | 91.03% |
CHEMBL1871 | P10275 | Androgen Receptor | 81.20% | 96.43% |
CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 81.13% | 98.33% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.96% | 82.69% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.88% | 100.00% |
CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.72% | 95.00% |
CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.38% | 95.36% |
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.
Arabidopsis thaliana |
Zea mays |
PubChem | 73229504 |
LOTUS | LTS0234823 |
wikiData | Q105309938 |