Compound Identification
SMILES
CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)N=[N+]=[N-]
InChIKey
InChIKey=QBEKIYKXLDMPBH-XXLUQQGRSA-N
Formula
C29H49N3O4
Mass
503.728
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Brassinolides and derivatives
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Subclass
Steroid lactones
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid lactones
Intermediate Tree Nodes
Not available
Direct Parent
Brassinolides and derivatives
Alternative Parents
Oxepanes Secondary alcohols Lactones Carboxylic acid esters Azo imides Azo compounds 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Brassinolide-skeleton - Caprolactone - Oxepane - 1,2-diol - Azo compound - Azo imide - Carboxylic acid ester - Lactone - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic salt - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as brassinolides and derivatives. These are cholestane based steroid lactones containing benzo[c]indeno[5,4-e]oxepin-3-one.
External Descriptors
Not available