1-(4-Hydroxy-3-methoxyphenyl)dec-5-en-3-one

Details

Top
Internal ID c9d1376f-4961-4af7-99e3-0c31f4349175
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 1-(4-hydroxy-3-methoxyphenyl)dec-5-en-3-one
SMILES (Canonical) CCCCC=CCC(=O)CCC1=CC(=C(C=C1)O)OC
SMILES (Isomeric) CCCCC=CCC(=O)CCC1=CC(=C(C=C1)O)OC
InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h6-7,10,12-13,19H,3-5,8-9,11H2,1-2H3
InChI Key LVCXAKWFQYYXLU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C17H24O3
Molecular Weight 276.40 g/mol
Exact Mass 276.17254462 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 3.30

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 1-(4-Hydroxy-3-methoxyphenyl)dec-5-en-3-one

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL3060 Q9Y345 Glycine transporter 2 98.56% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.98% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.62% 96.09%
CHEMBL2581 P07339 Cathepsin D 96.61% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.56% 92.08%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.64% 94.45%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.17% 96.95%
CHEMBL2535 P11166 Glucose transporter 88.97% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.65% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.10% 95.56%
CHEMBL1255126 O15151 Protein Mdm4 84.61% 90.20%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.57% 90.71%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.06% 100.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.55% 92.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.65% 96.00%

Plants that contains it

Top
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.
Aframomum melegueta

Cross-Links

Top
PubChem 162999410
LOTUS LTS0190515
wikiData Q105157787