(2S)-2-(2H-chromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one

Details

• Internal ID: 62da43f3-b8be-409d-8c7d-22da06f3bca2
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids
• IUPAC Name: (2S)-2-(2H-chromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
• InChI: InChI=1S/C18H14O4/c19-13-4-5-14-15(20)10-17(22-18(14)9-13)12-3-6-16-11(8-12)2-1-7-21-16/h1-6,8-9,17,19H,7,10H2/t17-/m0/s1
• InChI Key: BYRVDLLWHHGKPV-KRWDZBQOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₄O₄
• Molecular Weight: 294.30 g/mol
• Exact Mass: 294.08920892 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 2.90

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	96.98%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.02%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.52%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.86%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.84%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.21%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.09%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.93%	100.00%
CHEMBL4208	P20618	Proteasome component C5	83.60%	90.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.44%	99.23%
CHEMBL236	P41143	Delta opioid receptor	82.11%	99.35%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.77%	86.33%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	80.36%	82.67%

Plants that contains it

• Erythrina abyssinica

Cross-Links

• PubChem: 102483587
• LOTUS: LTS0213668
• wikiData: Q104949777