Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OCCC(=O)NCCCCCCNCC1=C(Cl)C=CC(=C1)C1=CC(=NN1CC1=CC=C(C)C=C1)C(=O)NC1C2(C)CCC(C2)C1(C)C)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=FDUWMQXTVZQQPO-GHBAZWJVSA-N
Formula
C67H82ClN5O15
Mass
1232.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
-
Class
Lignan lactones
- Subclass Podophyllotoxins
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Class
Lignan lactones
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Lignan lactones
Subclass
Podophyllotoxins
Intermediate Tree Nodes
Not available
Direct Parent
Podophyllotoxins
Alternative Parents
Aryltetralin lignans Furanonaphthodioxoles Terpene lactones Phenylpyrazoles Tetralins Dimethoxybenzenes Bicyclic monoterpenoids Pyranodioxins Aromatic monoterpenoids Benzodioxoles 2-heteroaryl carboxamides Benzylamines Pyrazole-5-carboxamides Phenylmethylamines Anisoles Phenoxy compounds Alkyl aryl ethers Toluenes Aralkylamines Chlorobenzenes 1,3-dioxanes Oxanes Aryl chlorides Monosaccharides Gamma butyrolactones Heteroaromatic compounds Oxolanes Carboxylic acid esters Secondary alcohols Amino acids and derivatives 1,2-diols Secondary carboxylic acid amides Acetals Dialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Terpene lactone - Naphthofuran - Phenylpyrazole - Fenchane monoterpenoid - Monoterpenoid - Aromatic monoterpenoid - Pyranodioxin - Norbornane monoterpenoid - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - 2-heteroaryl carboxamide - Benzylamine - Phenoxy compound - Anisole - Phenol ether - Phenylmethylamine - Pyrazole-5-carboxamide - Methoxybenzene - Aralkylamine - Toluene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Gamma butyrolactone - Monosaccharide - Monocyclic benzene moiety - Meta-dioxane - Aryl halide - Aryl chloride - Oxane - Azole - Oxolane - Heteroaromatic compound - Pyrazole - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - 1,2-diol - Secondary alcohol - Secondary aliphatic amine - Acetal - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one).
External Descriptors
Not available