3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoic acid|3-{2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}propanoic acid|3-{2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]ch...

General Information

Structure

Molecular Formula

C₂₃H₂₀O₅

Molecular Mass

376.4019

Exact Mass

376.13107374

Charge

InChI

InChI=1S/C23H20O5/c1-12-16(9-10-19(24)25)23(26)28-21-13(2)22-18(11-17(12)21)20(14(3)27-22)15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3,(H,24,25)

InChIKey

UODLKUHOWBRKDI-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C

Isomeric Smiles

c12c(c(c(c(=O)o1)CCC(=O)O)C)cc1c(oc(c1c1ccccc1)C)c2C

Calculated Properties

JChem

Acid pKa

4.64875

H Acceptors

H Donor

LogD (pH = 5.5)

3.658964

LogD (pH = 7.4)

1.8814493

Log P

4.5665317

Molar Refractivity

105.2233

Polarizability

42.437458

Polar Surface Area

76.74

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoic acid

IUPAC Traditional name

3-{2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}propanoic acid

IUPAC name

3-{2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}propanoic acid

Names and Identifiers

Registration numbers

PubChem SID

162107743

PubChem CID

1796094

Registration numbers

Properties

Product Information

Classification

Derivatives & analogs of Natural Compounds

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:119701