Compound Identification
SMILES
COC1=CC=C(C[C@@H]2N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]3CC4=CC(OC5=CC=C(C[C@H](N(C)C(=O)[C@H](C)NC2=S)C(=O)N3C)C=C5)=C(O)C=C4)C=C1
InChIKey
InChIKey=CBILULLNOAGPMX-LZQLRFBTSA-N
Formula
C40H48N6O8S
Mass
772.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Not available
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Lignans, neolignans and related compounds
Alternative Parents
Macrolactams Diarylethers Alpha amino acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Thiolactams Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Thiocarbonyl compounds Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxyneolignan skeleton - Macrolactam - Diaryl ether - Alpha-amino acid or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Thiolactam - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organosulfur compound - Thiocarbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.
External Descriptors
Not available