Compound Identification
SMILES
CNC(=O)[C@H]1[C@@H](O)[C@@]2(O)C3=C(OC)C=C(OC)C=C3O[C@]2([C@@H]1C1=CC=CC=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=AMMOFSKKTLXRAP-PXIJUOARSA-N
Formula
C27H26BrNO6
Mass
540.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzofurans
- Subclass Flavaglines
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Class
Benzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Flavaglines
Intermediate Tree Nodes
Not available
Direct Parent
Flavaglines
Alternative Parents
Stilbenes Coumarans Anisoles Alkyl aryl ethers Bromobenzenes Aryl bromides Tertiary alcohols Secondary carboxylic acid amides Secondary alcohols 1,2-diols Cyclic alcohols and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavagline skeleton - Stilbene - Coumaran - Anisole - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Secondary carboxylic acid amide - 1,2-diol - Carboxamide group - Ether - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavaglines. These are heterocyclic compounds with a structure characterized by a cyclopenta[b]benzofuran skeleton.
External Descriptors
Not available