Compound Identification
SMILES
Cl.COC1=CC=CC=C1C(=C)C(=O)N1C[C@@H]2[C@](C1)([C@H]1CC[C@]2(C2=CC=C(C)C=C2)C2=CC=CC=C12)C(O)=O.CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O
InChIKey
InChIKey=UQBRWNSGNMVZCY-IPDHRADUSA-N
Formula
C65H70ClN5O10
Mass
1116.75
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
Aryltetralin lignans Naphthalenecarboxylic acids Tetralins Quinolines and derivatives Pyranopyridines Phenylacetamides Isoindolines Piperidinecarboxylic acids Anisoles Methoxybenzenes Styrenes Pyrrolidine carboxylic acids N-acylpyrrolidines Phenoxy compounds Alkyl aryl ethers Aminopiperidines Toluenes Pyridinones Tertiary alcohols Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Lactones Lactams Carboxylic acid esters Trialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Camptothecin - 1-aryltetralin lignan - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Tetralin - Pyranopyridine - Quinoline - Phenylacetamide - Piperidinecarboxylic acid - Isoindoline - Isoindole or derivatives - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Pyrrolidine carboxylic acid - Anisole - Styrene - N-acylpyrrolidine - Phenol ether - Methoxybenzene - Alkyl aryl ether - 4-aminopiperidine - Pyridinone - Toluene - Benzenoid - Piperidine - Pyridine - Monocyclic benzene moiety - Pyrrolidine - Heteroaromatic compound - Carbamic acid ester - Tertiary alcohol - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrochloride - Alcohol - 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