CAS 14549-84-9 | 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy- | CAS Number 14549-84-9

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14549-84-9 | 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-

CAS No: 14549-84-9 Catalog No: AG001D46 MDL No:

Product Description

Catalog Number:

AG001D46

Chemical Name:

4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-

CAS Number:

14549-84-9

Molecular Formula:

C18H16O7

Molecular Weight:

344.3154

IUPAC Name:

2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one

InChI:

InChI=1S/C18H16O7/c1-22-12-5-4-9(6-13(12)23-2)17-18(24-3)16(21)15-11(20)7-10(19)8-14(15)25-17/h4-8,19-20H,1-3H3

InChI Key:

TWMBFWDMMIGYEO-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1OC)c1oc2cc(O)cc(c2c(=O)c1OC)O

UNII:

429X56Q8K5

NSC Number:

168804

Properties

Complexity:

532

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

344.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

344.319g/mol

Monoisotopic Mass:

344.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Effects of flavonoids on cell proliferation and caspase activation in a human colonic cell line HT29: an SAR study.	Journal of medicinal chemistry 20050421
Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.	Journal of natural products 20050401