5-O-methylhoslundin

5-O-methylhoslundin
Compound Structure:
Synonyms: 5-O-Methylhoslundin;CHEBI:185658;LMPK12110154;5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-3-yl)-2-phenylchromen-4-one
Compound ID: NMPC-454
PubChem ID:

15726099
Molecular Formula: C24H20O7
Canonical SMILES: CC1=C(C(=O)C(=CO1)C2=C(C=C3C(=C2OC)C(=O)C=C(O3)C4=CC=CC=C4)OC)OC
InChIKey: YZMKUGIAIUCXMP-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical 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

80.3Ų

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
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