Luteolin 8-C-E-propenoic acid

Details

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Internal ID 1ccf10c3-7b4b-43b8-8911-bfcc34935f8f
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones
IUPAC Name (E)-3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]prop-2-enoic acid
SMILES (Canonical) C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C(=C3O2)C=CC(=O)O)O)O)O)O
SMILES (Isomeric) C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C(=C3O2)/C=C/C(=O)O)O)O)O)O
InChI InChI=1S/C18H12O8/c19-10-3-1-8(5-12(10)21)15-7-14(23)17-13(22)6-11(20)9(18(17)26-15)2-4-16(24)25/h1-7,19-22H,(H,24,25)/b4-2+
InChI Key DBBLAWYMYVZKML-DUXPYHPUSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H12O8
Molecular Weight 356.30 g/mol
Exact Mass 356.05321734 g/mol
Topological Polar Surface Area (TPSA) 145.00 Ų
XlogP 2.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Luteolin 8-C-E-propenoic acid

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 98.40% 91.11%
CHEMBL3194 P02766 Transthyretin 94.45% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.36% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.49% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.97% 99.15%
CHEMBL1951 P21397 Monoamine oxidase A 89.07% 91.49%
CHEMBL2581 P07339 Cathepsin D 88.86% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.79% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 87.52% 91.71%
CHEMBL5284 Q96RR4 CaM-kinase kinase beta 85.06% 89.23%
CHEMBL308 P06493 Cyclin-dependent kinase 1 84.54% 91.73%
CHEMBL3401 O75469 Pregnane X receptor 82.91% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.04% 94.45%

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.
Afrocarpus gracilior
Agave xylonacantha
Anthemis cretica
Antiphiona pinnatisecta
Calophyllum inophyllum
Lycopodium japonicum
Maackia tashiroi
Monoon cupulare
Thelypteris esquirolii
Turnera diffusa

Cross-Links

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PubChem 16109839
NPASS NPC115289
LOTUS LTS0073191
wikiData Q104974216