Archangelenone

Details

• Internal ID: d279b5f7-abfa-4899-a575-978bcee920c2
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
• IUPAC Name: (2S)-5,7-dihydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCOC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C
• SMILES (Isomeric): CC(=CCOC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)C
• InChI: InChI=1S/C20H20O5/c1-12(2)7-8-24-15-5-3-13(4-6-15)18-11-17(23)20-16(22)9-14(21)10-19(20)25-18/h3-7,9-10,18,21-22H,8,11H2,1-2H3/t18-/m0/s1
• InChI Key: GYSDUVRPSWKYDJ-SFHVURJKSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀O₅
• Molecular Weight: 340.40 g/mol
• Exact Mass: 340.13107373 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: 4.20

Synonyms

• Selinone
• UNII-AG84U27TWU
• AG84U27TWU
• archangelone
• 14117-54-5
• ARCHENGELENONE
• 4'-O-prenylnaringenin
• CHEBI:66460
• DTXSID00161584
• 5,7-dihydroxy-4'-prenyloxyflavanone
• FLAVANONE, 5,7-DIHYDROXY-4'-((3-METHYL-2-BUTENYL)OXY)-, (-)-
• 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-5,7-DIHYDROXY-2-(4-((3-METHYL-2-BUTEN-1-YL)OXY)PHENYL)-, (2S)-
• 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-5,7-DIHYDROXY-2-(4-((3-METHYL-2-BUTENYL)OXY)PHENYL)-, (S)-
• (2S)-5,7-dihydroxy-2-(4-((3-methylbut-2-en-1-yl)oxy)phenyl)-2,3-dihydro-4H-chromen-4-one
• (2S)-5,7-dihydroxy-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2,3-dihydro-4H-chromen-4-one
• DTXCID9084075
• Q27135053
• (2S)-5,7-dihydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-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	99.24%	91.11%
CHEMBL1929	P47989	Xanthine dehydrogenase	97.62%	96.12%
CHEMBL4208	P20618	Proteasome component C5	95.44%	90.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	95.30%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.49%	94.45%
CHEMBL2581	P07339	Cathepsin D	93.35%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.67%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.57%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	91.07%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.43%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.34%	99.15%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.11%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.71%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.36%	94.00%
CHEMBL2243	O00519	Anandamide amidohydrolase	86.86%	97.53%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.00%	95.89%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.81%	99.23%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	83.03%	94.80%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	82.76%	92.68%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	81.69%	95.71%

Plants that contains it

• Glycosmis chlorosperma
• Monotes engleri

Cross-Links

• PubChem: 71586977
• LOTUS: LTS0040461
• wikiData: Q27135053