Compound Identification
SMILES
OC1=CC=C(C=C1)C1=COC2=C(C=CC(OCCCCBr)=C2)C1=O
InChIKey
InChIKey=PMVOCCAHRSXBSB-UHFFFAOYSA-N
Formula
C19H17BrO4
Mass
389.245
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
Isoflav-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Chromones Phenol ethers Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl bromide - Hydrocarbon derivative - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
Not available