ent-17-Hydroxy-16beta-kauran-19-al
Internal ID | 6160f5f3-12b7-41e4-9e1c-cecd876657eb |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde |
SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)CO)C)C=O |
SMILES (Isomeric) | CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)CO)C)C=O |
InChI | InChI=1S/C20H32O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h13-17,21H,3-12H2,1-2H3 |
InChI Key | ACXLVKYMISNUFD-UHFFFAOYSA-N |
Popularity | 7 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 | 4.80 |
CHEBI:170114 |
Ent-17-Hydroxy-16b-kauran-19-al |
NCGC00381390-01 |
14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde |
14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.26% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.16% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.03% | 91.11% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.24% | 95.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.72% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.92% | 100.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.59% | 95.93% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.12% | 95.56% |
CHEMBL4072 | P07858 | Cathepsin B | 83.31% | 93.67% |
CHEMBL2581 | P07339 | Cathepsin D | 83.24% | 98.95% |
CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.03% | 99.29% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.60% | 96.61% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.41% | 93.00% |
CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 81.76% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.49% | 94.45% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.39% | 95.58% |
CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.13% | 86.67% |
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.
Annona glabra |
Annona squamosa |
PubChem | 3481851 |
LOTUS | LTS0090032 |
wikiData | Q104909368 |