8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxy-2-methylchromen-4-one

Details

• Internal ID: 5ef30f17-01de-4e9c-9f3c-41f0112b3946
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
• IUPAC Name: 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxy-2-methylchromen-4-one
• InChI: InChI=1S/C17H20O5/c1-9(2)12(18)7-11-14(20-4)8-15(21-5)16-13(19)6-10(3)22-17(11)16/h6,8,12,18H,1,7H2,2-5H3/t12-/m1/s1
• InChI Key: CCDUJEDQZIORPS-GFCCVEGCSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₀O₅
• Molecular Weight: 304.34 g/mol
• Exact Mass: 304.13107373 g/mol
• Topological Polar Surface Area (TPSA): 65.00 Ų
• XlogP: 2.70

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	95.80%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.10%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.05%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.17%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	92.17%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.48%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.32%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.06%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.93%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.39%	99.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.29%	97.21%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.68%	96.95%
CHEMBL1255126	O15151	Protein Mdm4	80.58%	90.20%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.31%	89.34%

Plants that contains it

• Harrisonia perforata

Cross-Links

• PubChem: 162932237
• LOTUS: LTS0083273
• wikiData: Q104953182