Nookatone
| Internal ID | 99c2ed2d-75a4-4454-850e-445c7860b575 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | 4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| SMILES (Canonical) | CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C |
| SMILES (Isomeric) | CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C |
| InChI | InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3 |
| InChI Key | WTOYNNBCKUYIKC-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C15H22O |
| Molecular Weight | 218.33 g/mol |
| Exact Mass | 218.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 3.90 |
| 91416-23-8 |
| 4,4a-dimethyl-6-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one |
| 4Betah,5alpha-eremophila-1(10),11-dien-2-one |
| 4betaH,5alpha-Eremorphila-1(10)11-dien-2-one |
| Nootkatane |
| (+)-5,6-dimethyl-8-isopropenylbicyclo[4.4.0]dec-1-en-3-one |
| SCHEMBL309679 |
| DTXSID90859882 |
| CHEBI:172457 |
| 28834-25-5 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.89% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.99% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.53% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.88% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.78% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.60% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.02% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.40% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.11% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.28% | 96.43% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.04% | 97.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.20% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.21% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.06% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.80% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.57% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.35% | 95.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.58% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.45% | 93.04% |
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.
| Alpinia oxyphylla |
| Citrus × aurantium |
| Citrus maxima |
| Cyperus rotundus |
| Juniperus brevifolia |
| Juniperus communis |
| Mandragora officinarum |
| Teucrium scorodonia |
| Verbena officinalis var. officinalis |
| PubChem | 20797 |
| LOTUS | LTS0027125 |
| wikiData | Q104667203 |