Lophirone D

Details

• Internal ID: 149d9339-7113-404e-8ffa-8e27485a724c
• Taxonomy: Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
• IUPAC Name: 5-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-carbaldehyde
• SMILES (Canonical): C1=CC(=CC=C1C2=C(C3=C(O2)C=CC(=C3)C=CC(=O)C4=C(C=C(C=C4)O)O)C=O)O
• SMILES (Isomeric): C1=CC(=CC=C1C2=C(C3=C(O2)C=CC(=C3)/C=C/C(=O)C4=C(C=C(C=C4)O)O)C=O)O
• InChI: InChI=1S/C24H16O6/c25-13-20-19-11-14(1-9-21(28)18-8-7-17(27)12-22(18)29)2-10-23(19)30-24(20)15-3-5-16(26)6-4-15/h1-13,26-27,29H/b9-1+
• InChI Key: QTLOYOSKGRNTNQ-XLUWADSXSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₁₆O₆
• Molecular Weight: 400.40 g/mol
• Exact Mass: 400.09468823 g/mol
• Topological Polar Surface Area (TPSA): 108.00 Ų
• XlogP: 4.70

Synonyms

• LMPK12120074

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	97.19%	91.11%
CHEMBL3194	P02766	Transthyretin	96.20%	90.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.12%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.01%	95.56%
CHEMBL242	Q92731	Estrogen receptor beta	93.41%	98.35%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	92.47%	91.71%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	91.43%	98.11%
CHEMBL1951	P21397	Monoamine oxidase A	91.41%	91.49%
CHEMBL2581	P07339	Cathepsin D	91.32%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.91%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	88.36%	95.50%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.34%	94.45%
CHEMBL1929	P47989	Xanthine dehydrogenase	86.71%	96.12%
CHEMBL3401	O75469	Pregnane X receptor	86.10%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.41%	99.23%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.31%	90.71%
CHEMBL206	P03372	Estrogen receptor alpha	81.13%	97.64%
CHEMBL3038469	P24941	CDK2/Cyclin A	80.90%	91.38%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.62%	99.15%

Plants that contains it

• Lophira alata
• Lophira lanceolata

Cross-Links

• PubChem: 14376455
• LOTUS: LTS0190666
• wikiData: Q76423763