Compound Identification
SMILES
CC1=CC=CC=C1C1=C2OC3=C(F)C(=O)C4=CC=CC=C4C3=C(CC3=C(Cl)C(=CC(Cl)=C3C(O)=O)C(O)=O)C2=CC(=C1O)C1=CN=CC=C1
InChIKey
InChIKey=OYKPSTZLQQGFDV-UHFFFAOYSA-N
Formula
C38H22Cl2FNO7
Mass
694.49
Taxonomic Classification
Taxonomy Tree
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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
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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
Isoflavonoids Xanthenes Naphthopyrans P-phthalic acid and derivatives Dichlorobenzoic acids 2-halobenzoic acids 3-halobenzoic acids Naphthalenes Halobenzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Dichlorobenzenes Phenols Toluenes Pyrans Pyridines and derivatives Aryl chlorides Aryl fluorides Vinylogous halides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Isoflavonoid - Dibenzopyran - Naphthopyran - Xanthene - Para_phthalic_acid - 2,5-dichlorobenzoic acid - Benzopyran - Naphthalene - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - 1-benzopyran - Benzoic acid or derivatives - Benzoic acid - 1,4-dichlorobenzene - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Toluene - Phenol - Benzenoid - Pyridine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyran - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - 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