6,7-Dihydroxy-2-phenyl-2,3-dihydrochromen-4-one

Details

• Internal ID: 44c71dc1-9413-4c3d-8ffc-700896b34e2b
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
• IUPAC Name: 6,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): C1C(OC2=CC(=C(C=C2C1=O)O)O)C3=CC=CC=C3
• SMILES (Isomeric): C1C(OC2=CC(=C(C=C2C1=O)O)O)C3=CC=CC=C3
• InChI: InChI=1S/C15H12O4/c16-11-7-14(9-4-2-1-3-5-9)19-15-8-13(18)12(17)6-10(11)15/h1-6,8,14,17-18H,7H2
• InChI Key: DZKLSJIQUIKQTH-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₄
• Molecular Weight: 256.25 g/mol
• Exact Mass: 256.07355886 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 2.20

Synonyms

There are no found synonyms.

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	97.81%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.39%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.99%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.23%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.17%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.11%	89.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	82.86%	99.15%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	82.29%	93.40%
CHEMBL3475	P05121	Plasminogen activator inhibitor-1	82.08%	83.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.55%	97.09%

Plants that contains it

• Dalbergia sissoo

Cross-Links

• PubChem: 70649071
• LOTUS: LTS0182687
• wikiData: Q104991852