Compound Identification
SMILES
CCN(CC1=CC=CC=C1)CC1=CC=C(C=C1)C1=CC2=CC(OC)=C(OC)C=C2OC1=O
InChIKey
InChIKey=PNZIOQNBQOTGPK-UHFFFAOYSA-N
Formula
C27H27NO4
Mass
429.516
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-3-enes
- Level 5 Isoflav-3-enones
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Subclass
Isoflav-3-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflav-3-enones
Alternative Parents
Coumarins and derivatives 1-benzopyrans Phenylmethylamines Benzylamines Anisoles Pyranones and derivatives Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Aralkylamine - Pyranone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
External Descriptors
Not available