cajanin

cajanin
Compound Structure:
Synonyms: Cajanin;32884-36-9;3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one;F3QGE5M9QS;CHEBI:70036;5,2',4'-Trihydroxy-7-methoxyisoflavone;3-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-7-METHOXY-4H-1-BENZOPYRAN-4-ONE;
Compound ID: NMPC-713
PubChem ID:

5281706
Molecular Formula: C16H12O6
Canonical SMILES: COC1=CC(=C2C(=C1)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O
InChIKey: ALFNTRJPGFNJQV-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

300.26 g/mol

XLogP3-AA

2.6

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

2

Exact Mass

300.06338810 g/mol

Monoisotopic Mass

300.06338810 g/mol

Topological Polar Surface Area

96.2Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

462

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

208 - 210 °C

Source: PubChem                                                                                             
Source Species: Ficus thonningii
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