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)N1CCC2=CC(OC)=C(OC)C=C2C1
InChIKey
InChIKey=POSNBTNDSCQQQR-CLHIIVQDSA-N
Formula
C63H54N4O13
Mass
1075.14
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 Indolecarboxylic acids Phenylmorpholines Phenylpyrrolidines Tetrahydroisoquinolines Benzyloxycarbonyls Nitrobenzenes Anisoles Phenoxy compounds Pyrrolidinecarboxamides Methoxybenzenes Nitroaromatic compounds Aralkylamines Alkyl aryl ethers N-alkylpyrrolidines Pyrroles Tertiary carboxylic acid amides Carbamate esters Dicarboximides Lactones Carboxylic acid esters Trialkylamines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Stilbene - Alpha-amino acid ester - Indolecarboxylic acid derivative - Indolecarboxylic acid - Phenylmorpholine - 2-phenylpyrrolidine - Tetrahydroisoquinoline - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Indole or derivatives - Methoxybenzene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Phenol ether - Anisole - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Morpholine - Oxazinane - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carbamic acid ester - Pyrrolidine - Dicarboximide - Pyrrole - Organic nitro compound - C-nitro compound - Carboxamide group - Lactone - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organic salt - Carbonyl group - Amine - Hydrocarbon derivative - Alcohol - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - 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