Compound Identification
SMILES
COC1=CC=C(\C=C\C2=CC(C)=C3N2[B-](F)(F)[N+]2=C(\C=C\C4=CC=C(OC)C=C4)C=C(C)C2=C3C2=CC=C(C=C2)C(=O)O[N+]2=C(O)C(CC2=O)S(O)(=O)=O)C=C1
InChIKey
InChIKey=NDFDQOUWBJQTSH-IAGONARPSA-O
Formula
C40H35BF2N3O9S
Mass
782.6
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
Benzoic acids and derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ethers Substituted pyrroles Alkanesulfonic acids Heteroaromatic compounds Organosulfonic acids Pyrrolines Sulfonyls N-acylimines Lactims Organic metalloid salts Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Lactim - N-acylimine - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Azacycle - Organic metalloid salt - Organonitrogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - 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