7-Hydroxyflavanone

Details

• Internal ID: 2eb13e27-22d2-4cc9-b490-8ca7b808b1df
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
• IUPAC Name: 7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3
• SMILES (Isomeric): C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3
• InChI: InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
• InChI Key: SWAJPHCXKPCPQZ-UHFFFAOYSA-N
• Popularity: 84 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₃
• Molecular Weight: 240.25 g/mol
• Exact Mass: 240.078644241 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 2.50

Synonyms

• 6515-36-2
• 7-Hydroxy-2-phenylchroman-4-one
• 7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
• MFCD00017487
• CHEMBL97542
• 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl-
• CHEBI:34483
• 2H-1-Benzopyran-7-yloxy
• 7-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one
• CC64495H41
• 2,3-dihydro-7-hydroxy-2-phenyl-4H-1-benzopyran-4-one
• 41680-08-4
• UNII-CC64495H41
• 7-hydroxy-2-phenyl-4-chromanone
• 7-hydroxy-flavanone
• 7-Hydroxyflavanone, 98%
• Oprea1_401356
• MLS001181922
• SCHEMBL130266
• FLAVANONE, 7-HYDROXY-
• DTXSID0022430
• HMS1664L06
• HMS2865F07
• EX-A7837
• BDBM50104887
• LMPK12140018
• AKOS015856572
• NCGC00246641-01
• AS-60587
• PD039777
• SMR000567707
• J502.873F
• CS-0128374
• FT-0621433
• H1006
• D90988
• Q27116101
• 7-hydroxy-2-phenyl-3,4-dihydro-2H-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	97.86%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.08%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.05%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.80%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.42%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.31%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.72%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.55%	96.09%

Plants that contains it

• Berberis dictyota
• Ceratiola ericoides
• Crinum asiaticum
• Cryptocarya chinensis
• Dalbergia cochinchinensis
• Dalbergia sissoo
• Dracaena cinnabari
• Heliotropium indicum
• Muntingia calabura
• Ononis natrix
• Oxytropis falcata
• Phyllanthus sellowianus
• Pterocarpus marsupium
• Vachellia vernicosa
• Virola surinamensis
• Zuccagnia punctata

Cross-Links

• PubChem: 1890
• LOTUS: LTS0264566
• wikiData: Q27116101