Sophoronol

Details

• Internal ID: a784ac6e-3514-4d75-a167-13538b7753a1
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones
• IUPAC Name: 3,5,7-trihydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)-2H-chromen-4-one
• SMILES (Canonical): CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)C
• SMILES (Isomeric): CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)C
• InChI: InChI=1S/C21H20O7/c1-20(2)7-6-12-15(28-20)5-4-13(18(12)26-3)21(25)10-27-16-9-11(22)8-14(23)17(16)19(21)24/h4-9,22-23,25H,10H2,1-3H3
• InChI Key: SYJLLCMGTNPNAB-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₀O₇
• Molecular Weight: 384.40 g/mol
• Exact Mass: 384.12090297 g/mol
• Topological Polar Surface Area (TPSA): 105.00 Ų
• XlogP: 3.00

Synonyms

• 3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavanone
• CHEMBL550446
• LMPK12050509

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	99.47%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	98.95%	94.45%
CHEMBL4208	P20618	Proteasome component C5	94.63%	90.00%
CHEMBL2581	P07339	Cathepsin D	94.11%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.98%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	91.76%	93.99%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.52%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.27%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.24%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.24%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.03%	99.23%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	85.99%	96.77%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.37%	99.15%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.08%	91.07%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	82.96%	93.40%
CHEMBL2535	P11166	Glucose transporter	82.82%	98.75%
CHEMBL1937	Q92769	Histone deacetylase 2	82.76%	94.75%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.75%	97.14%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	80.89%	95.71%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.77%	100.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.35%	92.62%

Plants that contains it

• Sophora fraseri
• Sophora koreensis
• Sophora mollis
• Sophora tomentosa

Cross-Links

• PubChem: 15138471
• LOTUS: LTS0257890
• wikiData: Q104400830