Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@H](OC2=CC3=C(OCO3)C=C2[C@@H]1C1=CC=C(Cl)C=C1)N1CCOCC1

InChIKey

InChIKey=MTZMFRTXAVZTJP-UBWHGVKJSA-N

Formula

C21H22ClNO4

Mass

387.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavan - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.

External Descriptors

Not available

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