[17-(5-Ethyl-6-methylhept-6-en-2-yl)-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Internal ID | 4647b1c7-7dfc-45ab-bb81-70217fb34db1 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
IUPAC Name | [17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate |
SMILES (Canonical) | CCC(CCC(C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4)OC(=O)C)C)C)C)C(=C)C |
SMILES (Isomeric) | CCC(CCC(C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4)OC(=O)C)C)C)C)C(=C)C |
InChI | InChI=1S/C32H52O2/c1-9-24(21(2)3)11-10-22(4)27-15-18-32(8)29-13-12-25-20-26(34-23(5)33)14-17-30(25,6)28(29)16-19-31(27,32)7/h16,22,24-27,29H,2,9-15,17-20H2,1,3-8H3 |
InChI Key | WGHNHHQZISJVJT-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C32H52O2 |
Molecular Weight | 468.80 g/mol |
Exact Mass | 468.396730897 g/mol |
Topological Polar Surface Area (TPSA) | 26.30 Ų |
XlogP | 10.10 |
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 | 99.12% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.56% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.48% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.89% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.03% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.43% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.59% | 91.19% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 88.56% | 97.79% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.35% | 82.69% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.81% | 94.08% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.61% | 95.89% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.60% | 94.62% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.18% | 94.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.43% | 100.00% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.20% | 89.05% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.26% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.02% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.95% | 92.62% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.10% | 93.56% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.67% | 100.00% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.40% | 95.71% |
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.
Cajanus cajan |
PubChem | 14754324 |
LOTUS | LTS0211236 |
wikiData | Q105304506 |