4, 5, 7 – trihydroxy flavone (Apigenin)

4, 5, 7 – trihydroxy flavone (Apigenin)
Compound Structure:
Synonyms: Apigenin;520-36-5;5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one;Apigenol;Versulin;4',5,7-Trihydroxyflavone;Chamomile;Spigenin
Compound ID: NMPC-393
PubChem ID:

5280443
Molecular Formula: C15H10O5
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

270.24 g/mol

XLogP3

1.7

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

1

Exact Mass

270.05282342 g/mol

Monoisotopic Mass

270.05282342 g/mol

Topological Polar Surface Area

87Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

411

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

Physical Description

Solid

Melting Point

345-350 °C

Solubility 

Soluble in ethanol, pyridine, concentrated sulfuric acid; very soluble in dilute alkalies

Source: PubChem
Source Species: Newbouldia laevis
Raphia hookeri
Senna alata
Sorghum bicolor
Stachytarpheta jamaicensis
Vernonia perrottetii
Download SDF