Compound Identification
SMILES
CC1=CC=C(C=C2CCCC(=CC3=CC(CN4CCCCC4)=C(O)C=C3)C2=O)C=C1
InChIKey
InChIKey=OLMOKVKLMNWDCR-UHFFFAOYSA-N
Formula
C27H31NO2
Mass
401.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
N-benzylpiperidines Phenylmethylamines Benzylamines Toluenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Cyclic ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - N-benzylpiperidine - Benzylpiperidine - Benzylamine - Phenylmethylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Piperidine - Ketone - Cyclic ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available