(3E,4aR,5S,8aR)-3-(1-hydroxypropan-2-ylidene)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
| Internal ID | 95143971-c731-4dd8-b2c7-9bab8de9d7b7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (3E,4aR,5S,8aR)-3-(1-hydroxypropan-2-ylidene)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one |
| SMILES (Canonical) | CC1CCCC2C1(CC(=C(C)CO)C(=O)C2)C |
| SMILES (Isomeric) | C[C@H]1CCC[C@H]2[C@@]1(C/C(=C(/C)\CO)/C(=O)C2)C |
| InChI | InChI=1S/C15H24O2/c1-10(9-16)13-8-15(3)11(2)5-4-6-12(15)7-14(13)17/h11-12,16H,4-9H2,1-3H3/b13-10+/t11-,12+,15+/m0/s1 |
| InChI Key | VDUFYEYMLATBTF-YITDPVCKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.35 g/mol |
| Exact Mass | 236.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.06% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.59% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.05% | 97.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.15% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.45% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.57% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.71% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.41% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.13% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.26% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.18% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.05% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.72% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.14% | 95.89% |
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.
| Asteriscus daltonii subsp. vogelii |
| Ligularia kanaitzensis |
| PubChem | 101849880 |
| LOTUS | LTS0060673 |
| wikiData | Q104943450 |