Compound Identification
SMILES
Cl.COC1=CC(=CC(OC)=C1OC)C(=O)OC(CN1CCN(CC2=CC(OC)=C(OC)C=C2)CC1)CN1C(=S)NC2=C(OC)C(OC)=C(OC)C=C2C1=O
InChIKey
InChIKey=UMWIPTOPIYAUSB-UHFFFAOYSA-N
Formula
C37H47ClN4O11S
Mass
791.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Hydroxybenzoic acid derivatives
- Level 6 Gallic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Hydroxybenzoic acid derivatives
Direct Parent
Gallic acid and derivatives
Alternative Parents
M-methoxybenzoic acids and derivatives P-methoxybenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Quinazolines Anisoles Benzoyl derivatives Benzylamines Phenoxy compounds Phenylmethylamines N-alkylpiperazines Pyrimidinethiones Aralkylamines Alkyl aryl ethers 2-Thiopyrimidines Pyrimidones Heteroaromatic compounds Vinylogous amides Thioureas Lactams Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - O-dimethoxybenzene - Dimethoxybenzene - Quinazoline - Anisole - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Aralkylamine - N-alkylpiperazine - Pyrimidine - Piperazine - 1,4-diazinane - Vinylogous amide - Heteroaromatic compound - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Lactam - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
External Descriptors
Not available