Compound Identification
SMILES
COC1=CC=C(C=C1)N1C=C(CO[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(O)=O)C(C)=C)C2(C)C)N=N1
InChIKey
InChIKey=JHLMREYJLSMARD-BJMSDPACSA-N
Formula
C40H57N3O4
Mass
643.913
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Triterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Triterpenoids
Alternative Parents
18-hydroxysteroids Oxosteroids Phenyl-1,2,3-triazoles Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpenoid - 18-hydroxysteroid - 18-oxosteroid - Oxosteroid - Hydroxysteroid - Steroid - Phenyltriazole - Phenyl-1,2,3-triazole - Methoxyaniline - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Azole - Triazole - Heteroaromatic compound - 1,2,3-triazole - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors
Not available