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Xanthoangelol

Xanthoangelol structure

CAS No:
62949-76-2
Formula:
C25H28O4
Chemical Name:
Xanthoangelol
Synonyms:
2-Propen-1-one,1-[3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)-,(2E)-;2-Propen-1-one,1-[3-(3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)-,(E,E)-;2-Propen-1-one,1-[3-[(2E)-3,7-dimethyl-2,6-octadienyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)-,(2E)-;(2E)-1-[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one;Xanthoangelol;2′,4′,4-Trihydroxy-3′-geranylchalcone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Xanthoangelol Basic Attributes

Molecular Weight：

392.48700

Exact Mass：

392.49

UNII：

91D4GN26Z1

Characteristics

PSA：

77.76000

XLogP3：

5.93470

Density：

1.165g/cm3

Melting Point：

141-143 °C

Boiling Point：

605.8ºC at 760 mmHg

Flash Point：

334.2ºC

Refractive Index：

1.625

Drug Information

MeSH：

Compounds that inhibit H(+)-K(+)-EXCHANGING ATPASE. They are used as ANTI-ULCER AGENTS and sometimes in place of HISTAMINE H2 ANTAGONISTS for GASTROESOPHAGEAL REFLUX. (See all compounds classified as Proton Pump Inhibitors.)

MeSH Entry Terms：

xanthoangelol

Xanthoangelol Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:392.5
XLogP3:7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:392.19875937
Monoisotopic Mass:392.19875937
Topological Polar Surface Area:77.8
Heavy Atom Count:29
Complexity:606
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes