Tephrinone

Details

• Internal ID: c34141db-6190-428d-a7fb-a7529d19f892
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
• IUPAC Name: 5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)OC)C
• SMILES (Isomeric): CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)OC)C
• InChI: InChI=1S/C21H22O4/c1-13(2)9-10-15-19(24-3)12-17(23)20-16(22)11-18(25-21(15)20)14-7-5-4-6-8-14/h4-9,12,18,23H,10-11H2,1-3H3
• InChI Key: NISHDQWTPMJBJI-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₂O₄
• Molecular Weight: 338.40 g/mol
• Exact Mass: 338.15180918 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 5.00

Synonyms

• 75291-75-7
• 5-hydroxy-7-methoxy-8-prenylflavanone
• 5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
• 75350-44-6
• CHEMBL1089227
• DTXSID50996747
• CHEBI:187002
• LMPK12140171
• 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methoxy-8-(3-methyl-2-butenyl)-2-phenyl-
• 5-Hydroxy-7-methoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-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	99.30%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.50%	95.56%
CHEMBL2581	P07339	Cathepsin D	95.08%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.61%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.61%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.44%	85.14%
CHEMBL3401	O75469	Pregnane X receptor	87.43%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.29%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.88%	99.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.64%	99.23%
CHEMBL2535	P11166	Glucose transporter	84.00%	98.75%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.63%	89.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.22%	93.99%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.50%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.37%	95.89%

Plants that contains it

• Glycyrrhiza glabra
• Tephrosia calophylla
• Tephrosia leiocarpa
• Tephrosia madrensis
• Tephrosia polyphylla
• Tephrosia quercetorum
• Tephrosia tepicana
• Tephrosia tinctoria
• Tephrosia villosa
• Tephrosia watsoniana

Cross-Links

• PubChem: 156589
• LOTUS: LTS0027534
• wikiData: Q82988605