2,5,5,8a-tetramethyl-1-(3-methylpent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
| Internal ID | 164a6aa5-aee8-4cca-9048-c15ae639063d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2,5,5,8a-tetramethyl-1-(3-methylpent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| SMILES (Canonical) | CC(CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=C |
| SMILES (Isomeric) | CC(CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=C |
| InChI | InChI=1S/C20H36O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,15-17,21H,1,8-14H2,2-6H3 |
| InChI Key | KKTBXRFTXPLJNN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O |
| Molecular Weight | 292.50 g/mol |
| Exact Mass | 292.276615768 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 6.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.21% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.29% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.66% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.72% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.32% | 82.69% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 87.01% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.56% | 98.95% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.56% | 95.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.93% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.10% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.97% | 97.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.59% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.33% | 99.18% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.20% | 95.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.70% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.64% | 96.47% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.21% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.95% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.80% | 97.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.73% | 96.38% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 81.44% | 97.34% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.34% | 92.98% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.23% | 95.88% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.66% | 98.33% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.37% | 95.36% |
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.
| Aristolochia cymbifera |
| PubChem | 14137608 |
| LOTUS | LTS0151468 |
| wikiData | Q105142361 |