Daphnoretin, 99.83%

Name: Daphnoretin
Brand: Chempure

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CAS Number

2034-69-7

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About this item

IUPAC name	7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one
inchi	InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3
inchi key	JRHMMVBOTXEHGJ-UHFFFAOYSA-N
molecular formula	C19H12O7
synonyms	Daphnoretin 2034-69-7 Thymelol Dephnoretin NSC 291852
Compound Description	Daphnoretin is a member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a oxy group at position 3. It has a role as a metabolite, an antiviral agent and an antineoplastic agent. It is a hydroxycoumarin and an aromatic ether. It is functionally related to a coumarin. Daphnoretin has been reported in Daphne genkwa, Diarthron vesiculosum, and other organisms with data available.

Computed Properties

Molecular Weight:	352.3 g/mol
XLogP3:	3.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	3
Exact Mass:	352.05830272 g/mol
Monoisotopic Mass:	352.05830272 g/mol
Topological Polar Surface Area:	91.3 Å²
Heavy Atom Count:	26
Formal Charge:	0
Complexity:	640
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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Product No: AS0329

Daphnoretin, 99.83%

Product No: AS0329

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