7-Hydroxy-6-(7-hydroxy-3,7-dimethylocta-2,5-dienyl)chromen-2-one

Details

• Internal ID: 971fc490-323c-4bb7-a83f-069f86db20c5
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins
• IUPAC Name: 7-hydroxy-6-(7-hydroxy-3,7-dimethylocta-2,5-dienyl)chromen-2-one
• InChI: InChI=1S/C19H22O4/c1-13(5-4-10-19(2,3)22)6-7-14-11-15-8-9-18(21)23-17(15)12-16(14)20/h4,6,8-12,20,22H,5,7H2,1-3H3
• InChI Key: WDFBLGQBHCHFQS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₂O₄
• Molecular Weight: 314.40 g/mol
• Exact Mass: 314.15180918 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 3.80

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	98.92%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	96.23%	94.73%
CHEMBL2581	P07339	Cathepsin D	95.75%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.23%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.30%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.26%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.04%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.18%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.25%	99.23%
CHEMBL1951	P21397	Monoamine oxidase A	80.35%	91.49%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.13%	96.95%

Plants that contains it

• Philotheca tomentella

Cross-Links

• PubChem: 162947387
• LOTUS: LTS0029464
• wikiData: Q105302311