6-Hydroxy-7-methoxy-3-phenylchromen-2-one

Details

• Internal ID: 036e6085-0b2a-4fec-a05e-96576c9935ea
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Hydroxyisoflavonoids
• IUPAC Name: 6-hydroxy-7-methoxy-3-phenylchromen-2-one
• InChI: InChI=1S/C16H12O4/c1-19-15-9-14-11(8-13(15)17)7-12(16(18)20-14)10-5-3-2-4-6-10/h2-9,17H,1H3
• InChI Key: UAPFGONVKJAJRQ-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₂O₄
• Molecular Weight: 268.26 g/mol
• Exact Mass: 268.07355886 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 3.20

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
CHEMBL2581	P07339	Cathepsin D	96.84%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	96.04%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.91%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.54%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.72%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.98%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.68%	85.14%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.70%	99.17%
CHEMBL1255126	O15151	Protein Mdm4	86.18%	90.20%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.08%	99.15%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	85.71%	80.78%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.27%	95.50%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	82.80%	96.67%
CHEMBL1951	P21397	Monoamine oxidase A	81.30%	91.49%

Plants that contains it

• Dalbergia latifolia
• Dalbergia louvelii

Cross-Links

• PubChem: 162842265
• LOTUS: LTS0130667
• wikiData: Q105268969