Neoplathymenin

Details

• Internal ID: b9cab673-6ab3-4501-aa6b-b7ff6720c2b2
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
• IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
• InChI: InChI=1S/C15H12O6/c16-10(9-6-14(20)15(21)7-12(9)18)3-1-8-2-4-11(17)13(19)5-8/h1-7,17-21H/b3-1+
• InChI Key: AMYJBIWKBSTSMQ-HNQUOIGGSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.25 g/mol
• Exact Mass: 288.06338810 g/mol
• Topological Polar Surface Area (TPSA): 118.00 Ų
• XlogP: 2.50

Synonyms

• CHEBI:168738
• LMPK12120143
• (E)-3-(3,4-dihydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)prop-2-en-1-one

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	98.60%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	96.94%	91.49%
CHEMBL3194	P02766	Transthyretin	94.48%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.10%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.39%	86.33%
CHEMBL1929	P47989	Xanthine dehydrogenase	85.25%	96.12%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.33%	89.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.50%	94.45%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.44%	95.50%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.78%	99.15%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.58%	96.00%

Plants that contains it

• Picradeniopsis bigelovii

Cross-Links

• PubChem: 12313213
• LOTUS: LTS0127836
• wikiData: Q76422776