Chamaechromone

Category	Hepatitis B Virus (HBV)
CAS	93413-00-4
Description	Chamaechromone is isolated from the roots of Stellera chamaeja sme. Chamaechromone can undergo extensive phase I and phase II metabolism in rat. Chamaechromone has anti-HBV and insecticidal activity. The hydroxylation of Chamaechromone is inhibited by α-naphthoflavone, and predominantly catalyzed by recombinant human cytochrome P450 1A2.

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Synonyms	3-[1,1-bis(4-hydroxyphenyl)-3-oxo-3-(2,4,6-trihydroxyphenyl)propan-2-yl]-5,7-dihydroxychromen-4-one
IUPAC Name	3-[1,1-bis(4-hydroxyphenyl)-3-oxo-3-(2,4,6-trihydroxyphenyl)propan-2-yl]-5,7-dihydroxychromen-4-one
Molecular Weight	542.5
Molecular Formula	C30H22O10
Canonical SMILES	C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C(C3=COC4=CC(=CC(=C4C3=O)O)O)C(=O)C5=C(C=C(C=C5O)O)O)O
InChI	InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)25(15-3-7-17(32)8-4-15)26(30(39)27-21(35)9-18(33)10-22(27)36)20-13-40-24-12-19(34)11-23(37)28(24)29(20)38/h1-13,25-26,31-37H
InChIKey	KLKLIUIRQAMTAJ-UHFFFAOYSA-N
Boiling Point	906.4±65.0 °C at 760 mmHg
Flash Point	304.2±27.8 °C
Purity	98.0%
Density	1.6±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Yellow powder
Storage	Store at -20°C
Complexity	903
Exact Mass	542.12129689
Index Of Refraction	1.765
Target	HBV
Vapor Pressure	0.0±0.3 mmHg at 25°C
XLogP3-AA	4.9