Compound Identification
SMILES
CC[C@@]1(OC(=O)C[N+]2=CC=CC([O-])=C2)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=IHBGKOZQRXNEOB-MHZLTWQESA-N
Formula
C27H21N3O6
Mass
483.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Camptothecins
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Camptothecins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Camptothecins
Alternative Parents
Alpha amino acid esters Quinolines and derivatives Pyranopyridines Pyridinones Pyridinolates Pyridinium derivatives Benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds Lactones Lactams Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Alpha-amino acid ester - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Pyridinolate - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Lactam - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).
External Descriptors
Not available