Compound Identification
SMILES
COc1cc(ccc1O)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC24OC13O
InChIKey
InChIKey=LACNBXNHOAZRKX-UHFFFAOYSA-N
Formula
C35H49NO11
Mass
659.773
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
-
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 Methoxyphenols Quinolizidines Alkaloids and derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Oxepanes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Piperidines Tertiary alcohols Tetrahydrofurans Secondary alcohols Trialkylamines Amino acids and derivatives Carboxylic acid esters 1,2-aminoalcohols Hemiacetals Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Polyols Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cerveratrum-type alkaloid - Azasteroid - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Quinolizidine - Benzoic acid or derivatives - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Oxepane - Phenol - Benzenoid - Monocyclic benzene moiety - Piperidine - Tertiary alcohol - Tetrahydrofuran - Cyclic alcohol - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - 1,2-aminoalcohol - Hemiacetal - Ether - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Amine - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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