Compound Identification
SMILES
C[C@H]1CC[C@@H]2N(C1)C[C@H]1C3(O)CC45O[C@@]6(OC(=O)C7=CC=CC=C7)C(CC[C@H]4C3(O)C[C@H](O)C1(O)[C@]2(C)O)[C@]5(C)CC[C@H]6OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=GMDIBVJDVRKJIL-MARILHKFSA-N
Formula
C41H51NO10
Mass
717.856
Taxonomic Classification
Taxonomy Tree
-
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 Cerveratrum-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
Cerveratrum-type alkaloids
Alternative Parents
Azasteroids and derivatives Benzoic acid esters Quinolizidines Alkaloids and derivatives Benzoyl derivatives Ketals Oxepanes Dicarboxylic acids and derivatives Piperidines Tertiary alcohols Tetrahydrofurans Trialkylamines 1,2-aminoalcohols Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Polyols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Azasteroid - Benzoate ester - Quinolizidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Ketal - Oxepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Tertiary alcohol - Tetrahydrofuran - Cyclic alcohol - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Polyol - Oxacycle - Carboxylic acid derivative - Acetal - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cerveratrum-type alkaloids. These are steroidal alkaloids containing the cevane (23-methyl-4- azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]pentacosane) moiety, which is a six ring system. Cerveratrum alkaloids have 7-9 oxygen atoms and occur as free alkamines or esters of simple aliphatic or aromatic acids.
External Descriptors
Not available