Compound Identification
SMILES
ClC1=CC2=C(OCC(=C2)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=KWAKVJZFAVKZLT-UHFFFAOYSA-N
Formula
C15H10BrClO
Mass
321.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass Isoflav-3-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflav-3-enes
Alternative Parents
1-benzopyrans Bromobenzenes Alkyl aryl ethers Aryl chlorides Aryl bromides Oxacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-ene skeleton - Benzopyran - 1-benzopyran - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ether - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enes. These are flavonoids with a structure based on the 3-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.
External Descriptors
Not available