Oppositin

Compound Structure:

Synonyms:

5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one; Oppositin; 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxo-4H-pyran-2-yl)-2-phenyl-4H-1-benzopyran-4-one.

Compound ID:

NMPC-1361

PubChem ID:

10477206

Molecular Formula:

C24H20O7

Canonical SMILES:

CC1=C(C(=O)C=C(O1)C2=C(C=C3C(=C2OC)C(=O)C=C(O3)C4=CC=CC=C4)OC)OC

InChIKey:

GVWXIXXSXKCKKX-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	420.4 g/mol
XLogP3-AA	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	420.12090297 g/mol
Monoisotopic Mass	420.12090297 g/mol
Topological Polar Surface Area	80.3Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	818
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:

Hoslundia opposita

Download SDF