Compound Identification
SMILES
CN1CCN(CC(O)COC2=CC3=C(C=C2)C(CC(C)(C)O3)C2=CC=CC=C2)CC1
InChIKey
InChIKey=XROCBDFEMKGJPC-UHFFFAOYSA-N
Formula
C25H34N2O3
Mass
410.558
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavans
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavans
Alternative Parents
2,2-dimethyl-1-benzopyrans Phenol ethers N-methylpiperazines Alkyl aryl ethers Benzene and substituted derivatives Trialkylamines Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavan - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - N-methylpiperazine - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.
External Descriptors
Not available