Lachnoisoflavones A, (rac)-

Details

• Internal ID: b0ea0d18-15a4-43c7-9abd-dd627b427234
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones
• IUPAC Name: 8-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-f]chromen-9-one
• SMILES (Canonical): CC(=C)C1CC2=C(O1)C3=C(C=C2O)OC=C(C3=O)C4=C(C=C(C=C4)O)O
• SMILES (Isomeric): CC(=C)C1CC2=C(O1)C3=C(C=C2O)OC=C(C3=O)C4=C(C=C(C=C4)O)O
• InChI: InChI=1S/C20H16O6/c1-9(2)16-6-12-15(23)7-17-18(20(12)26-16)19(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,16,21-23H,1,6H2,2H3
• InChI Key: HHQAAUSMOBNXFL-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₆O₆
• Molecular Weight: 352.30 g/mol
• Exact Mass: 352.09468823 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 3.40

Synonyms

• CHEBI:70028
• CHEMBL1689270
• Q27138370

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	99.39%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.67%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.01%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.33%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.00%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.51%	99.23%
CHEMBL1951	P21397	Monoamine oxidase A	86.41%	91.49%
CHEMBL2535	P11166	Glucose transporter	83.54%	98.75%
CHEMBL4208	P20618	Proteasome component C5	83.38%	90.00%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	82.41%	90.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.14%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.42%	95.89%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	80.42%	85.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.11%	94.00%

Plants that contains it

• Crotalaria lachnophora

Cross-Links

• PubChem: 51041993
• LOTUS: LTS0151079
• wikiData: Q27138370