Compound Identification
SMILES
COC(=O)C1=CC=C(CN2CCCN(CC3=CC(OC)=C(OC)C=C3Br)CC2)O1
InChIKey
InChIKey=SCYUVBXGQYIXGR-UHFFFAOYSA-N
Formula
C21H27BrN2O5
Mass
467.36
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Sugar amino acids and derivatives
Direct Parent
Furanoid amino acids and derivatives
Alternative Parents
Dimethoxybenzenes Furoic acid esters Phenylmethylamines Phenoxy compounds Anisoles Benzylamines 1,4-diazepanes Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furanoid amino acid - Dimethoxybenzene - O-dimethoxybenzene - Furoic acid ester - Anisole - Furoic acid or derivatives - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - 1,4-diazepane - Alkyl aryl ether - Bromobenzene - Diazepane - Halobenzene - Aralkylamine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Methyl ester - Heteroaromatic compound - Furan - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Amine - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring.
External Descriptors
Not available