5-Deoxylicoisoflavanone

Details

• Internal ID: 5f2c3ff4-36b2-49e5-8968-879f0bd094f5
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones
• IUPAC Name: 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=C(C3=O)C=CC(=C4)O)C
• SMILES (Isomeric): CC1(C=CC2=C(O1)C=CC(=C2O)C3COC4=C(C3=O)C=CC(=C4)O)C
• InChI: InChI=1S/C20H18O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-9,15,21-22H,10H2,1-2H3
• InChI Key: XCAPUWLNGWQEIS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₈O₅
• Molecular Weight: 338.40 g/mol
• Exact Mass: 338.11542367 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: 3.30

Synonyms

• NSC692934
• NSC-692934

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	99.10%	91.11%
CHEMBL2581	P07339	Cathepsin D	98.64%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.73%	89.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.42%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	90.65%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.38%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.06%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.81%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.24%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.23%	97.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.63%	85.14%
CHEMBL340	P08684	Cytochrome P450 3A4	87.04%	91.19%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.39%	99.23%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.01%	93.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.10%	90.71%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	81.56%	90.93%
CHEMBL4208	P20618	Proteasome component C5	81.26%	90.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.77%	99.15%

Plants that contains it

• Erythrina lysistemon

Cross-Links

• PubChem: 5352086
• LOTUS: LTS0066442
• wikiData: Q105324864