Compound Identification
SMILES
[H][C@@]1(O)O[C@]([H])(CO[C@]2([H])OC=C(C(=O)OC)[C@@]3([H])C[C@]4([H])N(CCC5=C4NC4=CC=CC=C54)C[C@]([H])(O)[C@@]23[H])[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
InChIKey
InChIKey=XAGPYTGPQVWFAA-UMKXROOXSA-N
Formula
C27H34N2O10
Mass
546.573
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Pyridoindoles
- Level 5 Beta carbolines
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Subclass
Pyridoindoles
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyridoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Beta carbolines
Alternative Parents
3-alkylindoles Aralkylamines Azepanes Oxanes Monosaccharides Benzenoids Vinylogous esters Pyrroles Methyl esters Heteroaromatic compounds Enoate esters Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Hemiacetals Polyols Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - 3-alkylindole - Indole - Azepane - Aralkylamine - Monosaccharide - Oxane - Benzenoid - Pyrrole - Methyl ester - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Hemiacetal - Acetal - Polyol - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
External Descriptors
Not available