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Laricitrin

CAT: 0926-FL45941-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FL45941-01Size:1 mg
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CAS Number
53472-37-0
MDL Number
MFCD09263522
Smiles
COC1=CC (=CC (=C1O) O) C2=C (C (=O) C3=C (C=C (C=C3O2) O) O) O
Molecular Formula
C16H12O8
Molecular Weight
332.26 g/mol
Controlled
No

Chemical Information

Laricitrin

Laricitrin is a monomethoxyflavone that is the 3'-O-methyl derivative of myricetin. It has a role as a metabolite. It is a member of 3'-methoxyflavones, a 5'-hydroxy-3'-methoxyflavone, a monomethoxyflavone and a pentahydroxyflavone. It is functionally related to a myricetin. It is a conjugate acid of a laricitrin(1-).

CAS Number53472-37-0
PubChem CID5282154
IUPAC Name2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromen-4-one
Molecular FormulaC16H12O8
Molecular Weight332.26
XLogP1.5
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity532
SMILES
COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3
InChIKey
CFYMYCCYMJIYAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Laricitrin
CAS: 53472-37-0
CID: 5282154
Formula: C16H12O8
MW: 332.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.26
XLogP31.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass332.05321734
Monoisotopic Mass332.05321734
Topological Polar Surface Area137 Ų
Heavy Atom Count24
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
281392-01Laricitrin
HY-N7904-01Laricitrin 3-O-glucoside

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