Compound Identification
SMILES
COC1=C(O)C=C(O)C2=C1OC(CC2=O)C1=CC=CC=C1.COC1=CC(=CC(OC)=C1O)[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=RAUJSNBYTAYBPQ-XXTSEDLJSA-N
Formula
C45H46O18
Mass
874.845
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
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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
8-O-methylated flavonoids Aryltetralin lignans 5-hydroxyflavonoids 7-hydroxyflavonoids Flavanones Furanonaphthodioxoles Chromones Tetralins Pyranodioxins Methoxyphenols Dimethoxybenzenes Benzodioxoles Phenoxy compounds Anisoles Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Monosaccharides Oxanes 1,3-dioxanes Gamma butyrolactones Oxolanes Vinylogous acids Carboxylic acid esters Secondary alcohols 1,2-diols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Podophyllotoxin - 8-methoxyflavonoid-skeleton - 1-aryltetralin lignan - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Flavanone - Linear furanonaphthodioxole - Flavan - Naphthofuran - Chromone - Pyranodioxin - Dimethoxybenzene - M-dimethoxybenzene - Methoxyphenol - Benzopyran - 1-benzopyran - Tetralin - Chromane - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monosaccharide - Gamma butyrolactone - Meta-dioxane - Oxane - Monocyclic benzene moiety - Vinylogous acid - Oxolane - Secondary alcohol - Lactone - Ketone - 1,2-diol - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Aldehyde - Alcohol - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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