Terrecoumarin B

Details

• Internal ID: c29950eb-507e-4366-a13a-97679e68babf
• Taxonomy: Phenylpropanoids and polyketides > Isocoumarins and derivatives
• IUPAC Name: 6-methoxy-3-methyl-5-(3-methylbut-2-enyl)isochromen-1-one
• InChI: InChI=1S/C16H18O3/c1-10(2)5-6-12-14-9-11(3)19-16(17)13(14)7-8-15(12)18-4/h5,7-9H,6H2,1-4H3
• InChI Key: YFKIIPGXPUGSGV-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₈O₃
• Molecular Weight: 258.31 g/mol
• Exact Mass: 258.125594432 g/mol
• Topological Polar Surface Area (TPSA): 35.50 Ų
• XlogP: 4.20

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.67%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	93.53%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.36%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.72%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.91%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	90.69%	96.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.61%	94.00%
CHEMBL2581	P07339	Cathepsin D	89.99%	98.95%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.40%	96.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.55%	97.21%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.99%	89.00%
CHEMBL1951	P21397	Monoamine oxidase A	81.92%	91.49%
CHEMBL1255126	O15151	Protein Mdm4	81.79%	90.20%
CHEMBL2535	P11166	Glucose transporter	81.76%	98.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139586078
• LOTUS: LTS0061097
• wikiData: Q77498302