Compound Identification
SMILES
CO[C@H]1[C@H](CNC(=O)C2=CC(Br)=C(Br)N2)[C@@H](CNC(=O)C2=CC(Br)=C(Br)N2)[C@@H]2[C@@]3(O)NC(=N)N[C@@H]3O[C@@H]3NC(=N)N[C@@]123
InChIKey
InChIKey=WQPCEIVSZBREEL-CFGSMMGISA-N
Formula
C23H26Br4N10O5
Mass
842.142
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
-
Subclass
Monoterpenoids
-
Class
Prenol lipids
-
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 Imidazolidines Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Oxacyclic compounds Dialkyl ethers Carboximidamides Azacyclic compounds Alkanolamines Organopnictogen compounds Organobromides Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
11-noriridane monoterpenoid - Aromatic monoterpenoid - 2-heteroaryl carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Substituted pyrrole - Oxane - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Imidazolidine - Secondary carboxylic acid amide - Guanidine - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboximidamide - Ether - Dialkyl ether - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Imine - 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