Stearoyldelicone
| Internal ID | c5f6abd2-dc39-47eb-b59c-9da0e8da770c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Illudanes and illudins |
| IUPAC Name | [(6S,7bS)-3,6,7b-trimethyl-4-oxo-1,2,5,7-tetrahydrocyclobuta[e]inden-6-yl]methyl octadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC(=O)OCC1(CC2=C(C1)C3(CCC3=C(C2=O)C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(CC2=C(C1)[C@]3(CCC3=C(C2=O)C)C)C |
| InChI | InChI=1S/C33H54O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(34)36-25-32(3)23-27-29(24-32)33(4)22-21-28(33)26(2)31(27)35/h5-25H2,1-4H3/t32-,33+/m1/s1 |
| InChI Key | UTSRTAUYLDAFIC-SAIUNTKASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H54O3 |
| Molecular Weight | 498.80 g/mol |
| Exact Mass | 498.40729558 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 10.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL299 | P17252 | Protein kinase C alpha | 98.16% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.51% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.06% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.52% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.68% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.45% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.44% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.61% | 90.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.11% | 92.86% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.94% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.68% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.20% | 85.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.46% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.33% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.99% | 82.69% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.97% | 95.17% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 84.18% | 97.63% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.02% | 94.66% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.89% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.73% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.30% | 90.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.25% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.90% | 100.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 80.61% | 92.12% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.46% | 96.90% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 80.35% | 94.05% |
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.
| There are no matching plants. |
| PubChem | 15834292 |
| LOTUS | LTS0055153 |
| wikiData | Q77559073 |