Compound Identification
SMILES
C[C@@H]1[C@H]2C(C[C@H](C)CN2C(=O)CCC2=CC=C(C=C2)C(=O)CCCCCNCCN)O[C@]11CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC2=C1C
InChIKey
InChIKey=UEXHYPKVOFBABD-MMBLKLCGSA-N
Formula
C44H63N3O4
Mass
698.005
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
Steroids and steroid derivatives
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Subclass
Steroidal alkaloids
- Level 5 Jerveratrum-type alkaloids
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Subclass
Steroidal alkaloids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroidal alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Jerveratrum-type alkaloids
Alternative Parents
Azasteroids and derivatives Alkyl-phenylketones Butyrophenones Alkaloids and derivatives N-acylpiperidines Aryl alkyl ketones Benzoyl derivatives Tertiary carboxylic acid amides Oxolanes Amino acids and derivatives Cyclic ketones Oxacyclic compounds Azacyclic compounds Dialkylamines Dialkyl ethers Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Jerveratrum-type alkaloid - Azasteroid - Alkyl-phenylketone - Butyrophenone - N-acyl-piperidine - Phenylketone - Alkaloid or derivatives - Aryl ketone - Aryl alkyl ketone - Benzoyl - Piperidine - Benzenoid - Monocyclic benzene moiety - Oxolane - Tertiary carboxylic acid amide - Cyclic ketone - Ketone - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Primary aliphatic amine - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as jerveratrum-type alkaloids. These are steroidal alkaloids with a structure that is based on the jervane ring system. Jerveratrum alkaloids have alkamines with 1-3 oxygen atoms, and occur as such or as monoglycosides.
External Descriptors
Not available