Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C(C=O)C1COC2=CC3=C(C=C2C1=O)C(C)(C)CCC3(C)C
InChIKey
InChIKey=MDNQLOMTINJVGM-UHFFFAOYSA-N
Formula
C27H30O5
Mass
434.532
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Homoisoflavonoids
-
Subclass
Homoisoflavans
- Level 5 Homoisoflavanones
-
Subclass
Homoisoflavans
-
Class
Homoisoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Homoisoflavonoids
Subclass
Homoisoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Homoisoflavanones
Alternative Parents
Naphthopyrans Chromones Tetralins Aromatic monoterpenoids Naphthalenes Benzoic acid esters Phenylacetaldehydes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Pyrans Methyl esters Oxacyclic compounds Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoisoflavanone - Naphthopyran - Chromone - P-cymene - Aromatic monoterpenoid - Benzoate ester - Chromane - Benzopyran - Monoterpenoid - Naphthalene - Tetralin - 1-benzopyran - Phenylacetaldehyde - Benzoic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Methyl ester - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organooxygen compound - Aldehyde - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as homoisoflavanones. These are homoisoflavonoids with a structure based on the chromanone system. Chromanone is a bicyclic compound consisting of a 3,4-dihydro-1-benzopyran, which bears a ketone group at the 4-position.
External Descriptors
Not available