Structure Information
Structure

Compound Identification

SMILES

CCOOC(C)(C)C1=CC2=C(C=C1)C(C)=C([C@@H](O2)C1=CC=C(OCCN2CCCCC2)C=C1)C1=CC=C(OC(=O)C(C)(C)C)C=C1

InChIKey

InChIKey=VTIYBTPIWHLVHS-BHVANESWSA-N

Formula

C39H49NO6

Mass

627.822

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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 - Monocyclic benzene moiety - Benzenoid - Piperidine - Amino acid or derivatives - Carboxylic acid ester - Dialkyl peroxide - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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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