Compound Identification
SMILES
NC1=N[C@@H]2O[C@@H]3N=C(N)N[C@@]33[C@@H](Cl)[C@H](CNC(=O)C4=CC(Br)=C(Br)N4)[C@@H](CNC(=O)C4=CC(Br)=C(Br)N4)[C@@H]3[C@]2(O)N1
InChIKey
InChIKey=HTYVZJHSQDIKIM-RVJSRHHYSA-N
Formula
C22H23Br4ClN10O4
Mass
846.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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Subclass
Monoterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Iridoids and derivatives
Alternative Parents
Aromatic monoterpenoids Pyrrole carboxamides 2-heteroaryl carboxamides Substituted pyrroles Oxanes Aryl bromides Heteroaromatic compounds Imidazolines Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Alkanolamines Oxacyclic compounds Azacyclic compounds Carboximidamides Alkyl chlorides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aromatic monoterpenoid - 11-noriridane monoterpenoid - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Oxane - Substituted pyrrole - Heteroaromatic compound - 2-imidazoline - Pyrrole - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors
Not available