(E)-Arachidin II

Details

Top
Internal ID 1fc19036-3404-4972-88c2-2203322eeb73
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
SMILES (Canonical) CC(=CCC1=C(C=C(C=C1O)C=CC2=CC=C(C=C2)O)O)C
SMILES (Isomeric) CC(=CCC1=C(C=C(C=C1O)/C=C\C2=CC=C(C=C2)O)O)C
InChI InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-9,11-12,20-22H,10H2,1-2H3/b5-4-
InChI Key WWFOQQIWOKJBSJ-PLNGDYQASA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C19H20O3
Molecular Weight 296.40 g/mol
Exact Mass 296.14124450 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 5.10

Synonyms

Top
Arachidin II
CHEBI:174824
4-Isopentenyl-3,4',5-trihydroxystilbene
5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol

2D Structure

Top
2D Structure of (E)-Arachidin II

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.03% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 94.48% 91.49%
CHEMBL3401 O75469 Pregnane X receptor 91.83% 94.73%
CHEMBL2581 P07339 Cathepsin D 91.44% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.82% 96.00%
CHEMBL3194 P02766 Transthyretin 89.04% 90.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.48% 86.33%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 85.03% 92.68%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.42% 94.45%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 84.31% 91.71%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 83.46% 93.10%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.75% 95.56%
CHEMBL3038469 P24941 CDK2/Cyclin A 81.67% 91.38%
CHEMBL242 Q92731 Estrogen receptor beta 80.83% 98.35%
CHEMBL226 P30542 Adenosine A1 receptor 80.59% 95.93%

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.
Arachis hypogaea

Cross-Links

Top
PubChem 92012758
LOTUS LTS0148875
wikiData Q105313982