Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC(=O)OCC1=CC=CC=C1)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=LUYISNCEMZUKLT-QNMIOERPSA-N
Formula
C29H26O10
Mass
534.517
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 Tetralins Benzyloxycarbonyls Dimethoxybenzenes Benzodioxoles Anisoles Phenoxy compounds Alkyl aryl ethers Gamma butyrolactones Carbonic acid diesters Oxolanes Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Benzyloxycarbonyl - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Benzenoid - Carbonic acid diester - Gamma butyrolactone - Monocyclic benzene moiety - Oxolane - Secondary alcohol - Carboxylic acid ester - Lactone - Carbonic acid derivative - Ether - Oxacycle - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - 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