Agathisflavone

Compound Structure:

Synonyms:

Agathisflavone;28441-98-7;6,8''-Biapigenin;CHEBI:2512;8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;(6,8'-Bi-4H-1-benzopyran)-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-

Compound ID:

NMPC-561

PubChem ID:

5281599

Molecular Formula:

C30H18O10

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O)O

InChIKey:

BACLASYRJRZXMY-UHFFFAOYSA-N

About the compound:

Agathisflavone is a biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-6 and C-8 of the two chromene rings. It has a role as an antineoplastic agent, an antiviral agent, a hepatoprotective agent and a metabolite. It is a biflavonoid, a hydroxyflavone and a biaryl.

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	538.5 g/mol
XLogP3-AA	5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	538.08999677 g/mol
Monoisotopic Mass	538.08999677 g/mol
Topological Polar Surface Area	174Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1040
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:

Anacardium occidentale
Annona senegalensis

Download SDF