Compound Identification
SMILES
[H][C@]1(O)O[C@@]([H])(O[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])(CO)[C@]1([H])O
InChIKey
InChIKey=PKYOKRWFTWQWTF-INMVDVRZSA-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 Benzenoids Oxanes Pyrroles Vinylogous esters Methyl esters Enoate esters Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary alcohols 1,2-aminoalcohols Hemiacetals Polyols Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - 3-alkylindole - Indole - Azepane - Aralkylamine - Oxane - Benzenoid - Pyrrole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Hemiacetal - Azacycle - Acetal - Oxacycle - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Organic oxide - Primary alcohol - 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