(3R)-6,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one

Details

• Internal ID: c9e3e50e-b9fe-4b95-8e4d-f17e704d57c4
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives
• IUPAC Name: (3R)-6,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
• InChI: InChI=1S/C11H12O4/c1-5-3-7-6(2)8(12)4-9(13)10(7)11(14)15-5/h4-5,12-13H,3H2,1-2H3/t5-/m1/s1
• InChI Key: FOTQVOKVKHOUAR-RXMQYKEDSA-N
• Popularity: 2 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
CHEMBL1951	P21397	Monoamine oxidase A	97.24%	91.49%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.67%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.46%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.63%	98.95%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	91.27%	93.40%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.82%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.85%	99.23%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	84.50%	96.21%
CHEMBL3401	O75469	Pregnane X receptor	83.93%	94.73%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	83.85%	94.80%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.06%	86.33%
CHEMBL4208	P20618	Proteasome component C5	80.31%	90.00%

Plants that contains it

• Euphorbia plumerioides

Cross-Links

• PubChem: 14807797
• LOTUS: LTS0190238
• wikiData: Q104998945