6,8-Dihydroxy-3,7-dimethyl-3,4-dihydroisochromen-1-one

Details

• Internal ID: 40b0aef8-c96e-4e4e-8183-58270ec155d1
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives
• IUPAC Name: 6,8-dihydroxy-3,7-dimethyl-3,4-dihydroisochromen-1-one
• InChI: InChI=1S/C11H12O4/c1-5-3-7-4-8(12)6(2)10(13)9(7)11(14)15-5/h4-5,12-13H,3H2,1-2H3
• InChI Key: XZWVQJGERNDTEK-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.21 g/mol
• Exact Mass: 208.07355886 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 2.40

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	98.07%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	96.36%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.11%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.12%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.55%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	86.90%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.26%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.81%	94.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.91%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.03%	86.33%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	81.55%	96.21%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 68181280
• LOTUS: LTS0057538
• wikiData: Q104201496