Lachnoisoflavones B

Details

• Internal ID: 345145a2-cfb9-40a6-a879-71807e518c12
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones
• IUPAC Name: 7,20-dihydroxy-17-prop-1-en-2-yl-10,12,16-trioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3(11),4(9),5,7,13,15(19)-heptaen-2-one
• SMILES (Canonical): CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)OC5=C4C=CC(=C5)O
• SMILES (Isomeric): CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)OC5=C4C=CC(=C5)O
• InChI: InChI=1S/C20H14O6/c1-8(2)12-6-11-14(24-12)7-15-17(18(11)22)19(23)16-10-4-3-9(21)5-13(10)25-20(16)26-15/h3-5,7,12,21-22H,1,6H2,2H3
• InChI Key: UVJBSWKDLJKBCL-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₄O₆
• Molecular Weight: 350.30 g/mol
• Exact Mass: 350.07903816 g/mol
• Topological Polar Surface Area (TPSA): 89.10 Ų
• XlogP: 4.80

Synonyms

• CHEBI:70029
• Lachnoisoflavone B
• CHEMBL1689271
• Q27138371

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	99.15%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	96.94%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.05%	89.00%
CHEMBL2581	P07339	Cathepsin D	94.83%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.65%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.66%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	90.67%	94.73%
CHEMBL217	P14416	Dopamine D2 receptor	88.99%	95.62%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	88.39%	94.80%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.32%	99.23%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.29%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.41%	94.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.85%	90.71%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.65%	100.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.36%	86.33%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	80.64%	93.65%

Plants that contains it

• Crotalaria lachnophora

Cross-Links

• PubChem: 51041994
• LOTUS: LTS0027285
• wikiData: Q27138371