5-[2-(3,5-Dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde

Details

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Internal ID 2462afd8-f550-4451-bb8b-3efc3dd1e312
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name 5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde
SMILES (Canonical) C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)C=O)O
SMILES (Isomeric) C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)C=O)O
InChI InChI=1S/C15H12O4/c16-9-12-5-10(3-4-15(12)19)1-2-11-6-13(17)8-14(18)7-11/h1-9,17-19H
InChI Key WTQVAZILUGEBFG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O4
Molecular Weight 256.25 g/mol
Exact Mass 256.07355886 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-[2-(3,5-Dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde

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
CHEMBL3194 P02766 Transthyretin 98.15% 90.71%
CHEMBL1951 P21397 Monoamine oxidase A 97.44% 91.49%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 97.39% 98.11%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.67% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.40% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.88% 96.00%
CHEMBL1929 P47989 Xanthine dehydrogenase 88.94% 96.12%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.55% 94.45%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.07% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.98% 86.33%
CHEMBL4208 P20618 Proteasome component C5 84.64% 90.00%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 84.32% 80.78%
CHEMBL3401 O75469 Pregnane X receptor 83.17% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.05% 89.00%
CHEMBL2581 P07339 Cathepsin D 80.81% 98.95%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162959728
LOTUS LTS0184858
wikiData Q104200626