Compound Identification
SMILES
COc1ccc2c(c[n+]3CCc4cc5OCOc5c5c(Cc6ccc(OC(F)(F)F)cc6)cc2c3c45)c1OC
InChIKey
InChIKey=QULAVVOSUVGCEM-UHFFFAOYSA-N
Formula
C30H23F3NO5
Mass
534.511
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
Sesquiterpenoids Phenanthridines and derivatives Naphthalenes Isoquinolines and derivatives Benzodioxoles Phenoxy compounds Anisoles Methylpyridines Alkyl aryl ethers Heteroaromatic compounds Trihalomethanes Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Norlignan skeleton - Sesquiterpenoid - Phenanthridine - Benzoquinoline - Quinoline - Naphthalene - Isoquinoline - Benzodioxole - Phenoxy compound - Phenol ether - Anisole - Methylpyridine - Alkyl aryl ether - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Trihalomethane - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic cation - 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