Compound Identification
SMILES
CC[C@@]1(OC(=O)C2=CC=C(Br)C=C2)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(N)C1=C3)C2=O
InChIKey
InChIKey=RELITXWVGIACMT-MHZLTWQESA-N
Formula
C27H20BrN3O5
Mass
546.377
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
Aminoquinolines and derivatives Pyranopyridines 4-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Pyridinones Bromobenzenes Aryl bromides Heteroaromatic compounds Carboxylic acid esters Lactones Amino acids and derivatives Lactams Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Aminoquinoline - Benzoate ester - Pyranopyridine - Quinoline - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Pyridinone - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Lactone - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Primary amine - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - 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