Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](SC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)OCC2=CC=CC=C2)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=DBXHSDQQCHUHIE-RSXGCLESSA-N
Formula
C38H35NO11S
Mass
713.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Lignan lactones
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Lignan lactones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Lignan lactones
Alternative Parents
Tyrosine and derivatives Aryltetralin lignans Phenylalanine and derivatives Furanonaphthodioxoles Tetralins Amphetamines and derivatives Benzyloxycarbonyls Dimethoxybenzenes Methoxyphenols Benzodioxoles Phenoxy compounds Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Gamma butyrolactones Carbamate esters Oxolanes Carboxylic acid esters Carbothioic S-esters Thioesters Monocarboxylic acids and derivatives Oxacyclic compounds Sulfenyl compounds Acetals Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lignan lactone - 1-aryltetralin lignan - Tyrosine or derivatives - Phenylalanine or derivatives - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Methoxyphenol - Benzyloxycarbonyl - Amphetamine or derivatives - Benzodioxole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxolane - Carbamic acid ester - Carbothioic s-ester - Carboxylic acid ester - Thiocarboxylic acid ester - Lactone - Sulfenyl compound - Thiocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others.
External Descriptors
Not available