[(1R,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-Tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
Internal ID | c975df11-4750-4ea7-a034-25be842bb761 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
IUPAC Name | [(1R,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
SMILES (Canonical) | CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C |
SMILES (Isomeric) | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)C)C)C |
InChI | InChI=1S/C32H52O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h10,22,24-27H,9,11-20H2,1-8H3/t22-,24-,25+,26+,27+,29-,30+,31-,32-/m1/s1 |
InChI Key | PQNTWKDHNSWVPU-ZKVYRWFYSA-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 | 10.30 |
[(1R,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-Tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
DTXSID20590812 |
(3beta)-9,19-Cyclolanost-24-en-3-yl acetate |
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.29% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.50% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.89% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.96% | 91.11% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.96% | 91.19% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.54% | 98.75% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.17% | 89.50% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.72% | 93.00% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.14% | 94.78% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.94% | 93.56% |
CHEMBL3837 | P07711 | Cathepsin L | 84.77% | 96.61% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.48% | 97.47% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.43% | 100.00% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.40% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.07% | 97.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.83% | 92.62% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.78% | 95.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.24% | 95.89% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.02% | 91.24% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.79% | 82.69% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.76% | 82.50% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.43% | 100.00% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.21% | 95.58% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.62% | 94.75% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.54% | 95.71% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.53% | 97.50% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.44% | 94.33% |
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.
Achillea fragrantissima |
Adenophora stricta |
Artemisia argyi |
Artemisia rubripes |
Euphorbia oxyphylla |
Euphorbia piscatoria |
Ligularia veitchiana |
Polypodium vulgare |
Senecio bergii |
Ursinia eckloniana |
PubChem | 17750996 |
LOTUS | LTS0161433 |
wikiData | Q82484446 |