6-[1-(Hydroxymethyl)vinyl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone
| Internal ID | bf5d9e4e-c226-4743-a30f-c550345a6c07 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 6-(3-hydroxyprop-1-en-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one |
| SMILES (Canonical) | CC1=CC(=O)CC2(C1CC(CC2)C(=C)CO)C |
| SMILES (Isomeric) | CC1=CC(=O)CC2(C1CC(CC2)C(=C)CO)C |
| InChI | InChI=1S/C15H22O2/c1-10-6-13(17)8-15(3)5-4-12(7-14(10)15)11(2)9-16/h6,12,14,16H,2,4-5,7-9H2,1,3H3 |
| InChI Key | RUUMHHSGEYHQRB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.60 |
| 6-[1-(Hydroxymethyl)vinyl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone # |
| 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-6-[1-(hydroxymethyl)ethenyl]-4,8a-dimethyl-, [4ar-(4a.alpha.,6.alpha.,8a.beta.)]- |
![2D Structure of 6-[1-(Hydroxymethyl)vinyl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone](https://plantaedb.com/storage/docs/compounds/2023/11/6-1-hydroxymethylvinyl-48a-dimethyl-4a56788a-hexahydro-21h-naphthalenone.jpg "2D Structure of 6-[1-(Hydroxymethyl)vinyl]-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone")
| 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 | 97.01% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.02% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.35% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.47% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.27% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.43% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.33% | 96.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.27% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.00% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.44% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.20% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.42% | 93.04% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 565632 |
| LOTUS | LTS0098767 |
| wikiData | Q105245797 |