Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C(=O)O[C@H]1CC[C@@]2(C)C3CCC4[C@@]5(O)C(C[C@@]24O[C@@]13O)C1CN2C[C@@H](C)CC[C@H]2[C@@](C)(O)C1[C@@H](O)[C@@H]5O
InChIKey
InChIKey=NIEIJAOPLMFSMK-OYYCYGOVSA-N
Formula
C35H49NO10
Mass
643.774
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 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 p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Quinolizidines Methoxyphenols Alkaloids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Oxepanes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Piperidines Tetrahydrofurans Tertiary alcohols Trialkylamines Secondary alcohols Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Azasteroid - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Quinolizidine - Methoxyphenol - Benzoate ester - Alkaloid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Oxepane - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Amino acid or derivatives - 1,2-aminoalcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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