Compound Identification
SMILES
Cl.CC1(C)OC2=CC=CC=C2C(C2=CC=C(OCCN3CCCC3)C=C2)=C1C1=CC=CC=C1
InChIKey
InChIKey=ZDFFLAKCVYVGCF-UHFFFAOYSA-N
Formula
C29H32ClNO2
Mass
462.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- 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-enes
Alternative Parents
Neoflavenes Stilbenes 2,2-dimethyl-1-benzopyrans Phenoxy compounds Phenol ethers Alkyl aryl ethers N-alkylpyrrolidines Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-ene skeleton - Neoflavene - Neoflavonoid skeleton - Stilbene - 2,2-dimethyl-1-benzopyran - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enes. These are flavonoids with a structure based on the 3-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.
External Descriptors
Not available