Compound Identification
SMILES
CC1C2NCC(C)CC2OC11CCC2C3CCC4CC(CCC4(C)C3C(=O)C2=C1C)OC(=O)NCCNC(=O)CCC1=CC=CC=C1
InChIKey
InChIKey=FUQXNZHGVAYUFH-UHFFFAOYSA-N
Formula
C39H55N3O5
Mass
645.885
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
-
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 Alkaloids and derivatives Piperidines Fatty amides Benzene and substituted derivatives Oxolanes Carbamate esters Secondary carboxylic acid amides Ketones Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Jerveratrum-type alkaloid - Azasteroid - Alkaloid or derivatives - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Piperidine - Carbamic acid ester - Oxolane - Amino acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - 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