CAS 146132-95-8 | 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)- | CAS Number 146132-95-8

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146132-95-8 | 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)-

CAS No: 146132-95-8 Catalog No: AG001DQB MDL No:MFCD00017678

Product Description

Catalog Number:

AG001DQB

Chemical Name:

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

CAS Number:

146132-95-8

Molecular Formula:

C18H16O8

Molecular Weight:

360.3148

MDL Number:

MFCD00017678

IUPAC Name:

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

InChI:

InChI=1S/C18H16O8/c1-23-12-4-8(5-13(24-2)18(12)25-3)17-16(22)15(21)14-10(20)6-9(19)7-11(14)26-17/h4-7,19-20,22H,1-3H3

InChI Key:

LHNLHJJGLDWGFS-UHFFFAOYSA-N

SMILES:

COc1c(OC)cc(cc1OC)c1oc2cc(O)cc(c2c(=O)c1O)O

Properties

Complexity:

547

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

360.318g/mol

Monoisotopic Mass:

360.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Polymethylated myricetin in trichomes of the wild tomato species Solanum habrochaites and characterization of trichome-specific 3'/5'- and 7/4'-myricetin O-methyltransferases.	Plant physiology 20110401
Reversal of P-glycoprotein-mediated MDR by 5,7,3',4',5'-pentamethoxyflavone and SAR.	Biochemical and biophysical research communications 20040730
Radical scavenging and xanthine oxidase inhibitory activity of phenolic compounds from Bridelia ferruginea stem bark.	The Journal of pharmacy and pharmacology 20010501