dihydrokaempferol

dihydrokaempferol
Compound Structure:
Synonyms: (+)-aromadendrin; (+)-Dihydrokaempferol; (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
Compound ID: NMPC-967
PubChem ID:

122850

Molecular Formula: C15H12O6
Canonical SMILES: C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChIKey: PADQINQHPQKXNL-LSDHHAIUSA-N
About the compound:

(+)-dihydrokaempferol is a tetrahydroxyflavanone having hydroxygroupa at the 3-, 4'-, 5- and 7-positions. It has a role as a metabolite. It is a tetrahydroxyflavanone, a member of dihydroflavonols, a secondary alpha-hydroxy ketone and a member of 4'-hydroxyflavanones. It is functionally related to a kaempferol. It is a conjugate acid of a (+)-dihydrokaempferol 7-oxoanion.

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

288.25 g/mol

XLogP3-AA

1.8

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

1

Exact Mass

288.06338810 g/mol

Monoisotopic Mass

288.06338810 g/mol

Topological Polar Surface Area

107Ų

Heavy Atom Count

21

Formal Charge

0

Complexity

392

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Boiling Point

638.00 to 639.00 °C. @ 760.00 mm Hg

Melting Point

247 - 249 °C

Source: PubChem

Source Species: Senna sieberiana
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