Eremophilane
| Internal ID | e8ba8a88-8b22-4443-8579-9f793f06ebc5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (1S,4aR,7R,8aR)-1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene |
| SMILES (Canonical) | CC1CCCC2C1(CC(CC2)C(C)C)C |
| SMILES (Isomeric) | C[C@H]1CCC[C@H]2[C@@]1(C[C@@H](CC2)C(C)C)C |
| InChI | InChI=1S/C15H28/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h11-14H,5-10H2,1-4H3/t12-,13+,14+,15+/m0/s1 |
| InChI Key | AJWBFJHTFGRNDG-GBJTYRQASA-N |
| Popularity | 1,537 references in papers |
| Molecular Formula | C15H28 |
| Molecular Weight | 208.38 g/mol |
| Exact Mass | 208.219100893 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 6.30 |
| 7beta-Eremophilane |
| 6QV7472BN9 |
| UNII-6QV7472BN9 |
| 3242-05-5 |
| (1S,4aR,7R,8aR)-Decahydro-1,8a-dimethyl-7-(1-methylethyl)naphthalene |
| Naphthalene, decahydro-1,8a-dimethyl-7-(1-methylethyl)-, (1S,4aR,7R,8aR)- |
| (1S,4aR,7R,8aR)-7-isopropyl-1,8a-dimethyldecahydronaphthalene |
| (1S,4aR,7R,8aR)-1,8a-dimethyl-7-(propan-2-yl)decahydronaphthalene |
| Naphthalene, decahydro-1,8a-dimethyl-7-(1-methylethyl)-, (1S-(1alpha,4aalpha,7alpha,8aalpha))- |
| 7.BETA.-EREMOPHILANE |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.22% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.22% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.63% | 95.58% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.10% | 82.69% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.78% | 98.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.72% | 96.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 89.29% | 97.64% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.21% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.60% | 97.09% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 84.29% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.92% | 91.49% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.86% | 97.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.56% | 96.47% |
| CHEMBL240 | Q12809 | HERG | 83.55% | 89.76% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.53% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.56% | 95.89% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 81.57% | 99.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.88% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 80.73% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.50% | 94.45% |
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.
| Senecio candollei |
| PubChem | 9548704 |
| LOTUS | LTS0128576 |
| wikiData | Q27116868 |