CAS 29043-07-0 | 4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)- | CAS Number 29043-07-0

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29043-07-0 | 4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-

CAS No: 29043-07-0 Catalog No: AG002VBC MDL No:

Product Description

Catalog Number:

AG002VBC

Chemical Name:

4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-

CAS Number:

29043-07-0

Molecular Formula:

C21H22O8

Molecular Weight:

402.3946

IUPAC Name:

5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

InChI:

InChI=1S/C21H22O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-10H,1-6H3

InChI Key:

DYDFNKUHYXHWFM-UHFFFAOYSA-N

SMILES:

COc1c(OC)cc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC

Properties

Complexity:

579

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

402.399g/mol

Monoisotopic Mass:

402.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
A new chromene isolated from Ageratum conyzoides.	Natural product communications 20110901
Inhibitory effects of polymethoxy flavones isolated from Citrus reticulate on degranulation in rat basophilic leukemia RBL-2H3: enhanced inhibition by their combination.	Bioorganic & medicinal chemistry 20080815
Udp-glucuronosyltransferase 2b7 is the major enzyme responsible for gemcabene glucuronidation in human liver microsomes.	Drug metabolism and disposition: the biological fate of chemicals 20050901
Effects of flavonoids on cell proliferation and caspase activation in a human colonic cell line HT29: an SAR study.	Journal of medicinal chemistry 20050421
Reversal of P-glycoprotein-mediated MDR by 5,7,3',4',5'-pentamethoxyflavone and SAR.	Biochemical and biophysical research communications 20040730