Apigenin 7 glucuronide

Apigenin 7 glucuronide
Compound Structure:
Synonyms: 29741-09-1;Apigenin-7-glucuronide;Apigenin 7-O-glucuronide;Scutellarin A;apigenin-7-o-glucuronide;2CQ5KB3CH0;CHEMBL254213;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Compound ID: NMPC-588
PubChem ID:

5319484
Molecular Formula: C21H18O11
Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
InChIKey: JBFOLLJCGUCDQP-ZFORQUDYSA-N
About the compound:

Apigenin-7-O-glucuronide (Apigenin-7-glucuronide) is the major flavonoid found in milk thistle. Apigenin 7-o-glucuronide inhibits tumor necrosis factor alpha (TNF-α) and total nitrite release in lipopolysaccharide-activated macrophages.

GHS Hazard Statements

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

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

446.4 g/mol

XLogP3

0.2

Hydrogen Bond Donor Count

6

Hydrogen Bond Acceptor Count

11

Rotatable Bond Count

4

Exact Mass

446.08491139 g/mol

Monoisotopic Mass

446.08491139 g/mol

Topological Polar Surface Area

183Ų

Heavy Atom Count

32

Formal Charge

0

Complexity

746

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

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: Solenostemon monostachyus
Luffa cylindrica
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