5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
| Internal ID | e55370b4-a95f-455e-8bb9-badef190aef8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde |
| SMILES (Canonical) | CC(=CCO)CCC1C(=C)CCC2C1(CCCC2(C)C=O)C |
| SMILES (Isomeric) | CC(=CCO)CCC1C(=C)CCC2C1(CCCC2(C)C=O)C |
| InChI | InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,14,17-18,21H,2,5-9,11-13H2,1,3-4H3 |
| InChI Key | FSLWKIHHQUNBQK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.50 |
| 3650-31-5 |
| 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 | 95.94% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.58% | 83.82% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.35% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.11% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.18% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.12% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.78% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.59% | 82.69% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 84.82% | 99.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.51% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.18% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.62% | 97.09% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.25% | 97.50% |
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.
| Calocedrus decurrens |
| Calocedrus formosana |
| Cryptomeria japonica |
| Juniperus thurifera |
| Pinus ponderosa |
| Pinus sibirica |
| PubChem | 73198319 |
| LOTUS | LTS0199583 |
| wikiData | Q104253484 |