Compound Identification
SMILES
OC1(C(CCCCCCCBr)OC2=CC3=C(C=C12)C(O)(C(CCCCCCCBr)O3)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=JVPNLMCFPCGZTC-UHFFFAOYSA-N
Formula
C36H44Br2O4
Mass
700.552
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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
1-phenylcoumarans Alkyl aryl ethers Benzene and substituted derivatives Tertiary alcohols Oxacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - 1-phenylcoumaran - Coumaran - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Oxacycle - Organoheterocyclic compound - Ether - Alcohol - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl bromide - Organic oxygen 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