Compound Identification
SMILES
COC1=C2OC3=C(C=C(CCC(=O)CCCCC(C=C1)=C2)C=C3)[N+]([O-])=O
InChIKey
InChIKey=VXCITUKBJQIMKS-UHFFFAOYSA-N
Formula
C20H21NO5
Mass
355.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Cyclic diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Cyclic diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Meta,para-diphenylether diarylheptanoids
Alternative Parents
Lignans, neolignans and related compounds Diarylethers Nitroaromatic compounds Anisoles Alkyl aryl ethers Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta,para-diphenylether diarylheptanoid - Oxyneolignan skeleton - Diaryl ether - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Oxacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as meta,para-diphenylether diarylheptanoids. These are cyclic diarylheptanoids where the two benzene rings are linked to each other by an ether group conjugated to the 3-position of one benzene ring and the 4-position of the other ring.
External Descriptors
Not available