Artemetin

Compound Structure:

Synonyms:

Artemetin;479-90-3;Artemisetin;Artemitin;Erianthin;5-Hydroxy-3,3',4',6,7-pentamethoxyflavone;2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one;4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-

Compound ID:

NMPC-596

PubChem ID:

5320351

Molecular Formula:

C20H20O8

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC

InChIKey:

RIGYMJVFEJNCKD-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	388.4 g/mol
XLogP3-AA	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	388.11581759 g/mol
Monoisotopic Mass	388.11581759 g/mol
Topological Polar Surface Area	92.7Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	591
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Talinum triangulare

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