Compound Identification
SMILES
CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1.CC1=NC2=C(C3=CC=CC=C3N2CC2=CC=C(C=C2)[C@H](C2CCCC2)C(=O)N[C@@H](CO)C2=CC=CC=C2)C(C)=C1
InChIKey
InChIKey=TYKGJNZLYCHIGP-IYTUZITBSA-N
Formula
C50H59N3O5
Mass
782.038
Taxonomic Classification
Taxonomy Tree
-
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 Alpha carbolines
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Subclass
Pyridoindoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyridoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Alpha carbolines
Alternative Parents
Aromatic monoterpenoids N-alkylindoles Phenylacetamides Pyrrolopyridines Indoles p-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Methylpyridines Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Not available
Substituents
Alpha-carboline - P-cymene - N-alkylindole - Aromatic monoterpenoid - Monoterpenoid - Phenylacetamide - Indole - Pyrrolopyridine - Phenoxy compound - P-xylene - Xylene - Phenol ether - Alkyl aryl ether - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary alcohol - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole).
External Descriptors
Not available