Glicoricone

Details

• Internal ID: 0c6860be-663d-4fb3-8fc5-27450e990962
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones
• IUPAC Name: 3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C(=C(C=C1O)O)C2=COC3=C(C2=O)C=CC(=C3)O)OC)C
• SMILES (Isomeric): CC(=CCC1=C(C(=C(C=C1O)O)C2=COC3=C(C2=O)C=CC(=C3)O)OC)C
• InChI: InChI=1S/C21H20O6/c1-11(2)4-6-13-16(23)9-17(24)19(21(13)26-3)15-10-27-18-8-12(22)5-7-14(18)20(15)25/h4-5,7-10,22-24H,6H2,1-3H3
• InChI Key: SSDIPYMSXRNGMZ-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₀O₆
• Molecular Weight: 368.40 g/mol
• Exact Mass: 368.12598835 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 4.00

Synonyms

• 161099-37-2
• 3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one
• CHEMBL4085544
• CHEBI:175729
• DTXSID401121041
• HY-N9329
• AKOS040761784
• MS-25896
• CS-0159470
• E80598
• 2',4',7-Trihydroxy-6'-methoxy-3'-prenylisoflavone
• 3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-7-hydroxy-4H-chromen-4-one
• 3-[4,6-Dihydroxy-2-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-7-hydroxy-4H-1-benzopyran-4-one

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	99.59%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.41%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.24%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.57%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.76%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.58%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	91.32%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.53%	99.17%
CHEMBL1937	Q92769	Histone deacetylase 2	85.21%	94.75%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.21%	99.15%
CHEMBL3922	P50579	Methionine aminopeptidase 2	85.17%	97.28%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.02%	94.00%
CHEMBL2535	P11166	Glucose transporter	84.45%	98.75%
CHEMBL1951	P21397	Monoamine oxidase A	83.85%	91.49%
CHEMBL3194	P02766	Transthyretin	82.00%	90.71%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.84%	96.00%
CHEMBL4208	P20618	Proteasome component C5	81.48%	90.00%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.21%	91.71%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.36%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.12%	99.23%

Plants that contains it

• Glycyrrhiza
• Glycyrrhiza uralensis
• Glycyrrhiza uralensis
• Mitracarpus hirtus

Cross-Links

• PubChem: 10361658
• NPASS: NPC135743
• LOTUS: LTS0137980
• wikiData: Q105259609