Compound Identification
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C1=C(C(=O)OC2=CC=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=CLHXCYAJKPOMBO-UHFFFAOYSA-N
Formula
C27H27NO3
Mass
413.517
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavones
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavones
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavones
Alternative Parents
Isoflav-3-enones Coumarins and derivatives 1-benzopyrans Phenoxy compounds Phenol ethers Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - 4-phenylcoumarin - Isoflavonoid skeleton - Isoflavonoid - Coumarin - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.
External Descriptors
Not available