Compound Identification
SMILES
CCCCCCCCCC(OC1=CC=C(C=C1)C1C(COC2=C1C=CC(OCC1=CC=CC=C1)=C2)C1=CC=CC=C1)N1CCOCC1
InChIKey
InChIKey=FRNDGRXRABYDFO-UHFFFAOYSA-N
Formula
C42H51NO4
Mass
633.873
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass Isoflavans
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavans
Alternative Parents
Neoflavans Stilbenes 1-benzopyrans Phenoxy compounds Phenol ethers Alkyl aryl ethers Morpholines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavan - Neoflavan - Neoflavonoid skeleton - Stilbene - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.
External Descriptors
Not available