(1S,2S,4aS,5S,8aS)-5-methoxy-2,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
| Internal ID | 3e332063-3b0e-4cab-8e88-9159c9e07660 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (1S,2S,4aS,5S,8aS)-5-methoxy-2,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| SMILES (Canonical) | CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)OC)C)C=C |
| SMILES (Isomeric) | C/C(=C\C[C@H]1[C@@]2(CCC[C@]([C@H]2CC[C@]1(C)O)(C)OC)C)/C=C |
| InChI | InChI=1S/C20H34O2/c1-7-15(2)9-10-16-18(3)12-8-13-20(5,22-6)17(18)11-14-19(16,4)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9+/t16-,17-,18-,19-,20-/m0/s1 |
| InChI Key | AUWQRTXEPNHMRJ-YRJYPLJSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (1S,2S,4aS,5S,8aS)-5-methoxy-2,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/951ef500-8631-11ee-81b9-ef2d39855edd.jpg "2D Structure of (1S,2S,4aS,5S,8aS)-5-methoxy-2,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol")
| 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 | 97.08% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.50% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 93.35% | 97.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.35% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.76% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.98% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.75% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.21% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.10% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.33% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.37% | 94.45% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 83.68% | 97.34% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.09% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.65% | 97.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.27% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.91% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.61% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.12% | 91.07% |
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.
| Austrobrickellia patens |
| PubChem | 163004716 |
| LOTUS | LTS0147539 |
| wikiData | Q104919211 |