3-Methoxy-3',4'-methylenedioxy-cis-stilbene

Details

Top
Internal ID 2cc48a73-8192-4da6-87bd-c06cca1611dd
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 5-[(Z)-2-(3-methoxyphenyl)ethenyl]-1,3-benzodioxole
SMILES (Canonical) COC1=CC=CC(=C1)C=CC2=CC3=C(C=C2)OCO3
SMILES (Isomeric) COC1=CC=CC(=C1)/C=C\C2=CC3=C(C=C2)OCO3
InChI InChI=1S/C16H14O3/c1-17-14-4-2-3-12(9-14)5-6-13-7-8-15-16(10-13)19-11-18-15/h2-10H,11H2,1H3/b6-5-
InChI Key YPXYXYXQAADVML-WAYWQWQTSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C16H14O3
Molecular Weight 254.28 g/mol
Exact Mass 254.094294304 g/mol
Topological Polar Surface Area (TPSA) 27.70 Ų
XlogP 4.00

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 3-Methoxy-3',4'-methylenedioxy-cis-stilbene

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
CHEMBL240 Q12809 HERG 97.87% 89.76%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.76% 91.11%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 97.07% 96.77%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 96.54% 94.80%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 96.36% 96.00%
CHEMBL2039 P27338 Monoamine oxidase B 95.66% 92.51%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.61% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.28% 95.56%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 93.47% 85.30%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.78% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 89.63% 94.73%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.58% 93.99%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 88.14% 80.96%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.20% 92.62%
CHEMBL2581 P07339 Cathepsin D 85.80% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.16% 96.09%
CHEMBL1841 P06241 Tyrosine-protein kinase FYN 85.06% 81.29%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 83.67% 100.00%
CHEMBL5203 P33316 dUTP pyrophosphatase 82.38% 99.18%
CHEMBL2535 P11166 Glucose transporter 81.80% 98.75%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.98% 95.50%
CHEMBL4208 P20618 Proteasome component C5 80.98% 90.00%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 80.92% 93.24%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.81% 95.89%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.13% 90.24%

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.
There are no matching plants.

Cross-Links

Top
PubChem 129861914
LOTUS LTS0107014
wikiData Q105352061