2-(2,4- dihydroxy-5-prenylphenyl)-5,6- methylenedioxybenzofuran

2-(2,4- dihydroxy-5-prenylphenyl)-5,6- methylenedioxybenzofuran
Compound Structure:
Synonyms: 2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran;CHEBI:65785;4-(furo[2,3-f][1,3]benzodioxol-6-yl)-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol
Compound ID: NMPC-138
PubChem ID:

15953774
Molecular Formula: C20H18O5
Canonical SMILES: CC(=CCC1=CC(=C(C=C1O)O)C2=CC3=CC4=C(C=C3O2)OCO4)C
InChIKey: SOYHFIGRYCLZKD-UHFFFAOYSA-N
About the compound:

2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran is indeed an organic heterotricyclic compound. It consists of a 5,6-methylenedioxybenzofuran structure with a 2,4-dihydroxy-5-prenylphenyl group attached at position 2. This compound is naturally isolated from the roots of Sophora flavescens and has shown cytotoxic activity against the KB epidermoid carcinoma cell line. It serves as both a metabolite and an antineoplastic agent. This compound falls under the category of resorcinols, making it an organic heterotricyclic compound and an oxacycle. It's found in the plant Sophora flavescens.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

338.4 g/mol

XLogP3-AA

5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

3

Exact Mass

338.11542367 g/mol

Monoisotopic Mass

338.11542367 g/mol

Topological Polar Surface Area

72.1Ų

Heavy Atom Count

25

Formal Charge

0

Complexity

502

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: Gmelina arborea
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