Compound Identification
SMILES
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2S(=O)(=O)C2=CC=CC=C2)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3C[C@H]2C1=C)OCC1=CC=CC=C1
InChIKey
InChIKey=IQCMGEDCYUELPF-VGWDKVJVSA-N
Formula
C40H51NO4S
Mass
641.91
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
-
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 Benzenesulfonamides Benzylethers Benzenesulfonyl compounds Alkaloids and derivatives Piperidines Organosulfonamides Sulfonyls Oxolanes Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Jerveratrum-type alkaloid - Azasteroid - Benzenesulfonamide - Benzenesulfonyl group - Benzylether - Alkaloid or derivatives - Monocyclic benzene moiety - Piperidine - Organosulfonic acid amide - Benzenoid - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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