Compound Identification
SMILES
[Fe++].[CH]1[CH][CH][CH][CH]1.O=C([C@@H]1[C@@H]([C]2[CH][CH][CH][CH]2)[C@@]2(O[C@]1(C1=CC=CC=C21)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=SRIWBYMJNOJZOO-GWGYQOQZSA-N
Formula
C39H30FeO2
Mass
586.511
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Aryltetralin lignans Dibenzylbutane lignans Alkyl-phenylketones Naphthalenecarboxylic acids and derivatives Tetralins Isocoumarans Aryl alkyl ketones Benzoyl derivatives Oxolanes Oxacyclic compounds Organic transition metal salts Cycloalkenes Dialkyl ethers Unsaturated aliphatic hydrocarbons Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Linear 1,7-diphenylheptane skeleton - 1-aryltetralin lignan - Dibenzylbutane lignan skeleton - 2-naphthalenecarboxylic acid or derivatives - Alkyl-phenylketone - Tetralin - Phenylketone - Isocoumaran - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Oxolane - Ketone - Cyclic olefin - Organic transition metal salt - Oxacycle - Cycloalkene - Ether - Dialkyl ether - Organoheterocyclic compound - Organic oxygen compound - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Hydrocarbon - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available