Compound Identification
SMILES
CO[C@@H]1OC[C@@H](O[C@H]1OC1=CC(OC)=C2C(O[C@]3([C@@H]([C@H]([C@@H](OC(=O)C4=CC=C(Br)C=C4)[C@@]23OC(=O)C2=CC=C(Br)C=C2)C(=O)OC)C2=CC=CC=C2)C2=CC=C(OC)C=C2)=C1)[C@@H](COC(=O)C1=CC=C(Br)C=C1)OC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=MIETVNJIUNISQK-MVEUVJGFSA-N
Formula
C62H50Br4O17
Mass
1386.681
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
Pentacarboxylic acids and derivatives Stilbenes 4-halobenzoic acids and derivatives Benzoic acid esters Coumarans Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes 1,4-dioxanes Aryl bromides Methyl esters Oxacyclic compounds Acetals Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavagline skeleton - Pentacarboxylic acid or derivatives - Stilbene - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Coumaran - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Para-dioxane - Methyl ester - Carboxylic acid ester - Oxacycle - Acetal - Ether - Carboxylic acid derivative - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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