Compound Identification
SMILES
O=C1C(CC2=CC3=C(OCO3)C=C2)COC2=C1C=C(OCC1=NC3=CC=CC=C3C=C1)C=C2
InChIKey
InChIKey=PTDSBURQXBLSRM-UHFFFAOYSA-N
Formula
C27H21NO5
Mass
439.467
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Homoisoflavonoids
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Subclass
Homoisoflavans
- Level 5 Homoisoflavanones
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Subclass
Homoisoflavans
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Class
Homoisoflavonoids
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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
Chromones Quinolines and derivatives Benzodioxoles Aryl alkyl ketones Alkyl aryl ethers Pyridines and derivatives Benzenoids Heteroaromatic compounds Acetals Oxacyclic compounds Azacyclic compounds Aldehydes Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoisoflavanone - Chromone - Chromane - Benzopyran - Quinoline - 1-benzopyran - Benzodioxole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Ketone - Oxacycle - Azacycle - Acetal - Ether - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - 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