9,19-Cyclolanostan-3-ol, 24-methylene-, 3-acetate, (3beta)-
Internal ID | 0332b33a-6439-45ab-a3c8-c893c2f527fc |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
IUPAC Name | [7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
SMILES (Canonical) | CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C |
SMILES (Isomeric) | CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C |
InChI | InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h21,23,25-28H,3,10-20H2,1-2,4-9H3 |
InChI Key | BYIMYSSYXBYIBJ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C33H54O2 |
Molecular Weight | 482.80 g/mol |
Exact Mass | 482.412380961 g/mol |
Topological Polar Surface Area (TPSA) | 26.30 Ų |
XlogP | 10.90 |
9,19-Cyclolanostan-3-ol, 24-methylene-, 3-acetate, (3beta)- |
BYIMYSSYXBYIBJ-UHFFFAOYSA-N |
9,19-Cyclolanostan-3-ol, 24-methylene-, acetate, (3.beta.)- |
2-MORPHOLIN-4-YL-BENZOICACIDETHYLESTER |
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.0^{1,3.0^{3,8.0^{12,16]octadecanyl] acetate |
1-(4-Isopropyl-1-methyl-4-pentenyl)-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.50% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.94% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.30% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.26% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 91.46% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.03% | 91.19% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.34% | 95.17% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.48% | 98.75% |
CHEMBL3837 | P07711 | Cathepsin L | 88.55% | 96.61% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.27% | 92.62% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.95% | 93.00% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.81% | 82.69% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.54% | 90.24% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.33% | 97.09% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.52% | 94.78% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.90% | 95.89% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.61% | 89.05% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.56% | 82.50% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.41% | 95.50% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.33% | 100.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.19% | 96.47% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.14% | 89.50% |
CHEMBL240 | Q12809 | HERG | 82.96% | 89.76% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.48% | 95.71% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.12% | 100.00% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.77% | 91.24% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.13% | 96.61% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.39% | 96.77% |
CHEMBL233 | P35372 | Mu opioid receptor | 80.22% | 97.93% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.22% | 94.33% |
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PubChem | 550623 |
LOTUS | LTS0163383 |
wikiData | Q104949374 |