(3,6,7b-Trimethyl-2-oxo-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-6-yl)methyl 6-oxooctadecanoate
| Internal ID | 14499e11-c716-4b6a-b63b-e8d5f87cfa05 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Illudanes and illudins |
| IUPAC Name | (3,6,7b-trimethyl-2-oxo-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-6-yl)methyl 6-oxooctadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H54O4/c1-5-6-7-8-9-10-11-12-13-14-17-27(34)18-15-16-19-30(36)37-24-32(3)21-26-20-25(2)31-29(35)23-33(31,4)28(26)22-32/h26,28H,5-24H2,1-4H3 |
| InChI Key | ABJMSVJRUNONJS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H54O4 |
| Molecular Weight | 514.80 g/mol |
| Exact Mass | 514.40221020 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of (3,6,7b-Trimethyl-2-oxo-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-6-yl)methyl 6-oxooctadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/367b-trimethyl-2-oxo-144a577a-hexahydrocyclobutaeinden-6-ylmethyl-6-oxooctadecanoate.jpg "2D Structure of (3,6,7b-Trimethyl-2-oxo-1,4,4a,5,7,7a-hexahydrocyclobuta[e]inden-6-yl)methyl 6-oxooctadecanoate")
| 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 | 98.22% | 98.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.95% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 97.63% | 89.76% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.52% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.87% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.74% | 92.50% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 91.41% | 97.63% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.91% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.66% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.50% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.79% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.78% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.66% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.32% | 97.25% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 88.08% | 95.92% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.45% | 92.86% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 86.24% | 92.12% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.18% | 96.61% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.52% | 94.66% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.46% | 82.69% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.74% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.46% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.37% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.27% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.24% | 93.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.68% | 97.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.61% | 91.81% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.58% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.53% | 91.19% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.37% | 85.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.29% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.96% | 91.24% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.72% | 90.08% |
| CHEMBL5028 | O14672 | ADAM10 | 80.71% | 97.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.46% | 94.75% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.31% | 92.08% |
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 | 163079588 |
| LOTUS | LTS0093821 |
| wikiData | Q103815969 |