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Flavokawain C

Flavokawain C structure

CAS No:
37308-75-1
Formula:
C17H16O5
Chemical Name:
Flavokawain C
Synonyms:
2-Propen-1-one,1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-,(2E)-;2-Propen-1-one,1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-,(E)-;(2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one;Flavokawain C;2′,4-Dihydroxy-4′,6′-dimethoxy-trans-chalcone;Flavokavin C;4-Hydroxyflavokawain B
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Solid

Flavokawain C is a member of chalcones.

Flavokawain C Basic Attributes

Molecular Weight：

300.31

Exact Mass：

300.31

Characteristics

PSA：

75.99000

XLogP3：

3.01110

Density：

1.279±0.06 g/cm3

Melting Point：

179-182 °C

Boiling Point：

556.0±50.0 °C(Predicted)

PKA：

6.91±0.40

Drug Information

MeSH Entry Terms：

flavokawain C

Flavokawain C Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

Computed Properties

Molecular Weight:300.30
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:300.09977361
Monoisotopic Mass:300.09977361
Topological Polar Surface Area:76
Heavy Atom Count:22
Complexity:387
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes