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Isochandalone

Isochandalone structure

Isochandalone 

structure
  • CAS No:

    121747-90-8

  • Formula:

    C25H24O5

  • Chemical Name:

    Isochandalone

  • Synonyms:

    4H-1-Benzopyran-4-one,3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-;4H-1-Benzopyran-4-one,3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-;3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one;Isochandalone

  • Categories:

    Natural Products  >  Flavonoids

Isochandalone Basic Attributes

404.45506

404.46

Characteristics

76

5.9

1.258±0.06 g/cm3(Predicted)

607.7±55.0 °C(Predicted)

Isochandalone Use and Manufacturing

Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]

Computed Properties

Molecular Weight:404.5
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:404.16237386
Monoisotopic Mass:404.16237386
Topological Polar Surface Area:76
Heavy Atom Count:30
Complexity:760
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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