CAS 14585-04-7 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)- | CAS Number 14585-04-7

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14585-04-7 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-

CAS No: 14585-04-7 Catalog No: AG001DGV MDL No:

Product Description

Catalog Number:

AG001DGV

Chemical Name:

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

CAS Number:

14585-04-7

Molecular Formula:

C19H18O8

Molecular Weight:

374.3414

IUPAC Name:

5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

InChI:

InChI=1S/C19H18O8/c1-23-13-5-9(6-14(24-2)18(13)25-3)17-19(26-4)16(22)15-11(21)7-10(20)8-12(15)27-17/h5-8,20-21H,1-4H3

InChI Key:

YSXLGTWJLNLXKQ-UHFFFAOYSA-N

SMILES:

COc1c(OC)cc(cc1OC)c1oc2cc(O)cc(c2c(=O)c1OC)O

Properties

Complexity:

562

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

374.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

374.345g/mol

Monoisotopic Mass:

374.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Characterization of a flavonol 3-O-methyltransferase in the trichomes of the wild tomato species Solanum habrochaites.	Planta 20120901
Effects of flavonoids on cell proliferation and caspase activation in a human colonic cell line HT29: an SAR study.	Journal of medicinal chemistry 20050421
Radical scavenging and xanthine oxidase inhibitory activity of phenolic compounds from Bridelia ferruginea stem bark.	The Journal of pharmacy and pharmacology 20010501