(2R)-5,7-dihydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Details

• Internal ID: 750b80c5-1bc7-4fea-9b2e-8d31e6115ca7
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
• IUPAC Name: (2R)-5,7-dihydroxy-2,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• InChI: InChI=1S/C16H20O4/c1-8(2)5-6-11-14(18)10(4)16-13(15(11)19)12(17)7-9(3)20-16/h5,9,18-19H,6-7H2,1-4H3/t9-/m1/s1
• InChI Key: ZSHQWJSVJJBSBS-SECBINFHSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₀O₄
• Molecular Weight: 276.33 g/mol
• Exact Mass: 276.13615911 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 3.90

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	95.10%	91.11%
CHEMBL2581	P07339	Cathepsin D	93.33%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	90.88%	89.34%
CHEMBL3401	O75469	Pregnane X receptor	90.17%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.94%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.79%	85.14%
CHEMBL1951	P21397	Monoamine oxidase A	85.38%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.12%	89.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.16%	96.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.21%	94.45%

Plants that contains it

• Mallotus apelta

Cross-Links

• PubChem: 162885817
• LOTUS: LTS0200544
• wikiData: Q105382513