Compound Identification
SMILES
CCC1(OC(=O)CCN2CCN(CC2)C2=CC=C(C=C2)[N+]([O-])=O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=VQLNQXINVMOXCD-UHFFFAOYSA-N
Formula
C33H31N5O7
Mass
609.639
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
Phenylpiperazines N-arylpiperazines Quinolines and derivatives Pyranopyridines Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Pyridinones N-alkylpiperazines Dicarboxylic acids and derivatives Heteroaromatic compounds Lactones Lactams Amino acids and derivatives Carboxylic acid esters Trialkylamines Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic salts Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - N-arylpiperazine - Phenylpiperazine - Quinoline - Pyranopyridine - Nitrobenzene - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Pyridinone - N-alkylpiperazine - Benzenoid - 1,4-diazinane - Pyridine - Monocyclic benzene moiety - Piperazine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Organic oxoazanium - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - Organic salt - Organonitrogen compound - Organooxygen 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