Compound Identification
SMILES
COC(=O)[C@@]1([C@H]2OC3=CC=CC=C3[C@@]12C)C1=CC=C(Br)C=C1
InChIKey
InChIKey=RBCRYMBCWWTDQB-JQHSSLGASA-N
Formula
C18H15BrO3
Mass
359.219
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass Isoflavans
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavans
Alternative Parents
1-benzopyrans Coumarans Bromobenzenes Alkyl aryl ethers Cyclopropanecarboxylic acids and derivatives Aryl bromides Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavan - Chromane - Benzopyran - 1-benzopyran - Coumaran - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Aryl bromide - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.
External Descriptors
Not available