Kaempferol 3-p-coumarate

Details

• Internal ID: c1939275-8bc9-421c-b036-905c47119c9c
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones
• IUPAC Name: [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
• SMILES (Canonical): C1=CC(=CC=C1C=CC(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O
• SMILES (Isomeric): C1=CC(=CC=C1/C=C/C(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O
• InChI: InChI=1S/C24H16O8/c25-15-6-1-13(2-7-15)3-10-20(29)32-24-22(30)21-18(28)11-17(27)12-19(21)31-23(24)14-4-8-16(26)9-5-14/h1-12,25-28H/b10-3+
• InChI Key: OBSPVONVWCVMCK-XCVCLJGOSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₁₆O₈
• Molecular Weight: 432.40 g/mol
• Exact Mass: 432.08451746 g/mol
• Topological Polar Surface Area (TPSA): 134.00 Ų
• XlogP: 4.40

Synonyms

• [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
• CHEBI:166630
• LMPK12111992

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	98.73%	91.11%
CHEMBL3194	P02766	Transthyretin	97.80%	90.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	97.55%	89.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	96.65%	96.12%
CHEMBL1293249	Q13887	Kruppel-like factor 5	96.10%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.43%	94.45%
CHEMBL242	Q92731	Estrogen receptor beta	91.34%	98.35%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	91.17%	95.64%
CHEMBL2581	P07339	Cathepsin D	89.92%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.71%	95.56%
CHEMBL3959	P16083	Quinone reductase 2	89.28%	89.49%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.81%	99.17%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	85.34%	95.78%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.83%	93.99%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.81%	99.15%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.65%	95.50%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	83.57%	91.71%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.40%	90.71%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.11%	96.00%
CHEMBL1937	Q92769	Histone deacetylase 2	80.55%	94.75%

Plants that contains it

• Centella asiatica

Cross-Links

• PubChem: 10526707
• LOTUS: LTS0081640
• wikiData: Q76415778