Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(O)[C@@H](C[C@]24O[C@@]13O)[C@@H]1CN2C[C@@H](C)CC[C@H]2[C@@](C)(O)[C@H]1[C@@H](O)[C@@H]5O
InChIKey
InChIKey=LQZYJVWXEFXUJG-QVMLKMJVSA-N
Formula
C36H51NO10
Mass
657.801
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 M-methoxybenzoic acids and derivatives P-methoxybenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Quinolizidines Alkaloids and derivatives Phenoxy compounds Anisoles Benzoyl derivatives Oxepanes Alkyl aryl ethers Piperidines Tertiary alcohols Tetrahydrofurans Secondary alcohols Amino acids and derivatives Trialkylamines Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters 1,2-aminoalcohols Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Azasteroid - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Quinolizidine - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Oxepane - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Tertiary aliphatic amine - 1,2-aminoalcohol - Carboxylic acid ester - Hemiacetal - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Alcohol - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - 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