Compound Identification
SMILES
CCC[C@@]1(CCC2=CC=CC=C2)CC(O)C([C@H](CC)C2=CC(N)=CC=C2)C(=O)O1
InChIKey
InChIKey=IGTCSEFMCVHWAF-ZEWQUOHESA-N
Formula
C25H33NO3
Mass
395.543
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
Phenylpropanes Aniline and substituted anilines Delta valerolactones Oxanes Secondary alcohols Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Phenylpropane - Aniline or substituted anilines - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Oxane - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Primary amine - Organonitrogen compound - Organooxygen 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