Compound Identification
SMILES
CN1CCN(CC1)C1=CC(=CC(=C1OCC1=CC=CC=C1)C(C)(C)C)C(O)\C=C\C1=CC(O)=C(C=C1)C(=O)OC(C#CC1=CC=C(C=C1)C(=O)OC(\C=C\C1=CC=C(C=C1)C(=O)OC(=O)C1=CC=C(\C=C\C(=O)C2=CC(=C(OCC3=CC=CC=C3)C(=C2)N2CCN(C)CC2)C(C)(C)C)C=C1)C1=CC(=C(OCC2=CC=CC=C2)C(=C1)N1CCN(C)CC1)C(C)(C)C)C1=CC(=C(OCC2=CC=CC=C2)C(=C1)N1CCN(C)CC1)C(C)(C)C
InChIKey
InChIKey=GXWNWUNQZDHDHD-IEKKDDQRSA-N
Formula
C128H142N8O14
Mass
2016.586
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamylphenols Cinnamic acids and derivatives N-arylpiperazines Phenylpiperazines o-Hydroxybenzoic acid esters Salicylic acid and derivatives Benzyloxycarbonyls Cinnamyl alcohols Phenylpropanes Aminophenyl ethers Styrenes Phenoxy compounds Aniline and substituted anilines Aryl ketones Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers N-methylpiperazines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Carboxylic acid anhydrides Vinylogous acids Enones Secondary alcohols Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Phenylpiperazine - N-arylpiperazine - Cinnamic acid or derivatives - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoate ester - Cinnamyl alcohol - Benzyloxycarbonyl - Phenylpropane - Aminophenyl ether - Benzoic acid or derivatives - Phenoxy compound - Styrene - Tertiary aliphatic/aromatic amine - Phenol ether - Benzoyl - Aryl ketone - Aniline or substituted anilines - Dialkylarylamine - N-methylpiperazine - N-alkylpiperazine - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Benzenoid - Acryloyl-group - Carboxylic acid anhydride - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Ketone - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available