Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(OC2=C1C=CC(OC(=O)C(C)(C)C)=C2)C1=CC=C(OCCN2CCCCC2)C=C1)C1=CC=C(O)C=C1

InChIKey

InChIKey=VHXPHBGFWYEERZ-UHFFFAOYSA-N

Formula

C34H39NO5

Mass

541.688

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Flav-3-enes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflav-3-ene skeleton - Isoflavonoid skeleton - Isoflavonoid - Flav-3-ene - Stilbene - Benzopyran - Phenol ester - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flav-3-enes. These are flavonoids with a structure based on the 2-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.

External Descriptors

Not available

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