(1S,4aS,5R,6R,8aR)-6-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
| Internal ID | c07639ef-f381-456c-a93e-ad2e8fa1391a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,4aS,5R,6R,8aR)-6-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde |
| SMILES (Canonical) | CC(=CCO)CCC1C2(CCCC(C2CCC1(C)O)(C)C=O)C |
| SMILES (Isomeric) | C/C(=C\CO)/CC[C@@H]1[C@]2(CCC[C@]([C@@H]2CC[C@@]1(C)O)(C)C=O)C |
| InChI | InChI=1S/C20H34O3/c1-15(9-13-21)6-7-17-19(3)11-5-10-18(2,14-22)16(19)8-12-20(17,4)23/h9,14,16-17,21,23H,5-8,10-13H2,1-4H3/b15-9+/t16-,17+,18+,19-,20+/m0/s1 |
| InChI Key | CQAZVEHOHSEEFJ-JUPHPBBPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (1S,4aS,5R,6R,8aR)-6-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/79da74d0-8626-11ee-bb4e-cffebd3c398e.jpg "2D Structure of (1S,4aS,5R,6R,8aR)-6-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.55% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.96% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.35% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.43% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.20% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.88% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.74% | 94.45% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.23% | 91.24% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.01% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.75% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.08% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.77% | 97.09% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.73% | 97.50% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 81.22% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.88% | 95.89% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.30% | 86.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.28% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.28% | 97.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.24% | 91.19% |
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.
| Juniperus thurifera |
| PubChem | 14138909 |
| LOTUS | LTS0057677 |
| wikiData | Q104967881 |