Ovalitenin A

Details

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Internal ID 343df3f2-ba1c-4d6b-b37a-80d4b86924cf
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Furanochalcones
IUPAC Name (E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
SMILES (Canonical) COC1=C(C=CC2=C1C=CO2)C(=O)C=CC3=CC=CC=C3
SMILES (Isomeric) COC1=C(C=CC2=C1C=CO2)C(=O)/C=C/C3=CC=CC=C3
InChI InChI=1S/C18H14O3/c1-20-18-14(8-10-17-15(18)11-12-21-17)16(19)9-7-13-5-3-2-4-6-13/h2-12H,1H3/b9-7+
InChI Key KEJNXXMRDHDOCO-VQHVLOKHSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H14O3
Molecular Weight 278.30 g/mol
Exact Mass 278.094294304 g/mol
Topological Polar Surface Area (TPSA) 39.40 Ų
XlogP 4.10

Synonyms

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CHEMBL3401053
CHEBI:186152
LMPK12120003
(E)-1-(4-methoxy-1-benzouran-5-yl)-3-phenylprop-2-en-1-one

2D Structure

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2D Structure of Ovalitenin A

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 96.58% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.99% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.66% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.87% 96.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.67% 95.50%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.14% 99.23%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.33% 99.17%
CHEMBL2581 P07339 Cathepsin D 83.97% 98.95%
CHEMBL2535 P11166 Glucose transporter 82.61% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.31% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.63% 85.14%
CHEMBL3401 O75469 Pregnane X receptor 80.22% 94.73%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.17% 93.56%

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.
Millettia pulchra

Cross-Links

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PubChem 10923878
LOTUS LTS0085666
wikiData Q76416226