Compound Identification
SMILES
[Na+].CCC(O)(C([O-])=O)C1=C(CO)C(=O)N2CC3=C(N=C4C=CC=C(N)C4=C3)C2=C1
InChIKey
InChIKey=YXCNTVOJVSGRHA-UHFFFAOYSA-M
Formula
C20H18N3NaO5
Mass
403.37
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 Pyridinones Benzenoids Tertiary alcohols Heteroaromatic compounds Amino acids Carboxylic acid salts Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organic zwitterions Aromatic alcohols Primary alcohols Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Aminoquinoline - Quinoline - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid salt - Lactam - Amino acid - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic sodium salt - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Alcohol - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic alcohol - Organic salt - Organic zwitterion - 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