Compound Identification
SMILES
COC1=CC=C(C=C1)C#CC1=CC2=C(C=C1)N(C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)[C@@]21[C@H]([C@H]2N([C@H]1C1=CC=CC=C1OCCO)[C@@H]([C@@H](OC2=O)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1
InChIKey
InChIKey=NDUQACPYZPAOPK-JTDOKWAISA-N
Formula
C64H55N5O13
Mass
1102.166
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
Stilbenes Alpha amino acid esters Phenylmorpholines Indolecarboxylic acids Phenylpyrrolidines Benzyloxycarbonyls Benzodioxoles Nitrobenzenes Pyrrolidinecarboxamides Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aralkylamines N-alkylpiperazines N-alkylpyrrolidines Tertiary carboxylic acid amides Pyrroles Carbamate esters Dicarboximides Trialkylamines Carboxylic acid esters Lactones Organic oxoazanium compounds Acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Stilbene - Alpha-amino acid ester - Phenylmorpholine - Indolecarboxylic acid - Indolecarboxylic acid derivative - 2-phenylpyrrolidine - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Benzodioxole - Indole or derivatives - Pyrrolidine-3-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Nitroaromatic compound - N-alkylpiperazine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Morpholine - Oxazinane - Benzenoid - Piperazine - N-alkylpyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Carbamic acid ester - Pyrrolidine - Dicarboximide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Lactone - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Acetal - Oxacycle - Carboxylic acid derivative - Organic oxoazanium - Ether - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Primary alcohol - Amine - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic zwitterion - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Aromatic heteropolycyclic 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