2-(2-Hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enal

Details

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Internal ID 82498c1c-826b-4ba9-89a4-0cbb130b7e6f
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 2-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enal
SMILES (Canonical) COC1=CC(=C(C=C1)C(=CC2=C(C=C(C=C2)O)OC)C=O)O
SMILES (Isomeric) COC1=CC(=C(C=C1)C(=CC2=C(C=C(C=C2)O)OC)C=O)O
InChI InChI=1S/C17H16O5/c1-21-14-5-6-15(16(20)9-14)12(10-18)7-11-3-4-13(19)8-17(11)22-2/h3-10,19-20H,1-2H3
InChI Key QETFXXXVFOYOIP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H16O5
Molecular Weight 300.30 g/mol
Exact Mass 300.09977361 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 2.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(2-Hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enal

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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 97.25% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.69% 95.56%
CHEMBL4208 P20618 Proteasome component C5 95.90% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.44% 96.09%
CHEMBL3714130 P46095 G-protein coupled receptor 6 91.76% 97.36%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.22% 94.45%
CHEMBL2535 P11166 Glucose transporter 90.65% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.40% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.25% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.83% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.67% 94.00%
CHEMBL3194 P02766 Transthyretin 86.29% 90.71%
CHEMBL2581 P07339 Cathepsin D 85.89% 98.95%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.81% 95.89%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.49% 93.40%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.27% 90.24%

Plants that contains it

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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.
Erythrina addisoniae

Cross-Links

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PubChem 75576265
LOTUS LTS0185425
wikiData Q105219374