Compound Identification
SMILES
C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)O[C@]11CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC2=C1C
InChIKey
InChIKey=HWMLIXIYZGSQAC-QDVHUHAASA-N
Formula
C42H49NO4
Mass
631.857
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 Fluorenes Piperidinecarboxylic acids Alkaloids and derivatives Cyclohexenones Oxolanes Carbamate esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Jerveratrum-type alkaloid - Azasteroid - Fluorene - Piperidinecarboxylic acid - Alkaloid or derivatives - Cyclohexenone - Piperidine - Benzenoid - Carbamic acid ester - Oxolane - Cyclic ketone - Ketone - Organoheterocyclic compound - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - 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