Ineleganene
| Internal ID | 3f22634a-93c8-4bf7-bd47-b73c6601f719 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2R,4S)-1-ethenyl-1-methyl-4-[(2Z)-6-methylhepta-2,6-dien-2-yl]-2-prop-1-en-2-ylcyclohexane |
| SMILES (Canonical) | CC(=C)CCC=C(C)C1CCC(C(C1)C(=C)C)(C)C=C |
| SMILES (Isomeric) | CC(=C)CC/C=C(/C)\[C@H]1CC[C@]([C@H](C1)C(=C)C)(C)C=C |
| InChI | InChI=1S/C20H32/c1-8-20(7)13-12-18(14-19(20)16(4)5)17(6)11-9-10-15(2)3/h8,11,18-19H,1-2,4,9-10,12-14H2,3,5-7H3/b17-11-/t18-,19+,20-/m0/s1 |
| InChI Key | DAGCNSBIYQRVRH-XEHYYXMLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H32 |
| Molecular Weight | 272.50 g/mol |
| Exact Mass | 272.250401021 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 8.00 |
| CHEMBL524286 |
| (1R,2R,4S)-1-ethenyl-1-methyl-4-[(2Z)-6-methylhepta-2,6-dien-2-yl]-2-prop-1-en-2-ylcyclohexane |
| 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 | 97.73% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.56% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.45% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.54% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.40% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.46% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.70% | 82.69% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.43% | 96.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.13% | 95.50% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 82.93% | 97.31% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.69% | 97.64% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.68% | 97.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.50% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.94% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.78% | 95.89% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.29% | 92.51% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.21% | 90.08% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.96% | 98.10% |
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.
| Acer opalus |
| Alstroemeria paupercula |
| Petunia reitzii |
| PubChem | 10754687 |
| LOTUS | LTS0151049 |
| wikiData | Q105210994 |