Compound Identification
SMILES
OC(C(O)C([O-])=O)C([O-])=O.CC1C2[NH2+]CC(C)CC2OC11CCC2C3CC=C4CC(C)CCC4(C)C3CC2=C1C.CC1C2[NH2+]CC(C)CC2OC11CCC2C3CC=C4CC(C)CCC4(C)C3CC2=C1C
InChIKey
InChIKey=UVDRVIQEFUBZCO-UHFFFAOYSA-N
Formula
C60H92N2O8
Mass
969.402
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
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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 Alkaloids and derivatives Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Piperidines Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Quaternary ammonium salts Oxolanes Secondary alcohols 1,2-diols Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Dialkylamines Carboxylic acids Dialkyl ethers Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Jerveratrum-type alkaloid - Azasteroid - Alkaloid or derivatives - Beta-hydroxy acid - Short-chain hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Fatty acid - Monosaccharide - Piperidine - Oxolane - Quaternary ammonium salt - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Secondary amine - Carboxylic acid - Dialkyl ether - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Carboxylic acid derivative - Secondary aliphatic amine - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organic cation - Aliphatic 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