Kaur-16-en-19-al
Internal ID | ffdea615-04f8-48f1-9f88-5a5239c3505b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | 5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde |
SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C=O |
SMILES (Isomeric) | CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)C=O |
InChI | InChI=1S/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3 |
InChI Key | JCAVDWHQNFTFBW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H30O |
Molecular Weight | 286.50 g/mol |
Exact Mass | 286.229665576 g/mol |
Topological Polar Surface Area (TPSA) | 17.10 Ų |
XlogP | 5.40 |
JCAVDWHQNFTFBW-UHFFFAOYSA-N |
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 | 93.89% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.50% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.99% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.54% | 100.00% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.04% | 95.50% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.46% | 82.69% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.02% | 96.38% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.65% | 95.89% |
CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.65% | 99.29% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.35% | 94.45% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.24% | 93.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.85% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 81.84% | 98.95% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.56% | 97.14% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.00% | 96.21% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.36% | 96.77% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.35% | 96.09% |
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.
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PubChem | 529648 |
LOTUS | LTS0241733 |
wikiData | Q104375994 |