Compound Identification
SMILES
COC1=CC2=C(C=C1)[C@]1(O)[C@H](O)[C@@H]([C@@H](C3=CC=CC=C3)[C@@]1(O2)C1=CC=C(Br)C=C1)C(=O)NCCOCCOCCNC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)N(C)C
InChIKey
InChIKey=YPZXTHTURNPAOU-GVZNUIEDSA-N
Formula
C44H46BrN3O10
Mass
856.767
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzofurans
- Subclass Flavaglines
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Class
Benzofurans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Flavaglines
Intermediate Tree Nodes
Not available
Direct Parent
Flavaglines
Alternative Parents
Stilbenes Coumarins and derivatives 1-benzopyrans Coumarans Anisoles Dialkylarylamines Alkyl aryl ethers Bromobenzenes Pyranones and derivatives Aryl bromides Heteroaromatic compounds Tertiary alcohols Lactones Cyclic alcohols and derivatives 1,2-diols Secondary alcohols Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavagline skeleton - Stilbene - Coumarin - 1-benzopyran - Benzopyran - Coumaran - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Anisole - Alkyl aryl ether - Halobenzene - Bromobenzene - Pyranone - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Pyran - Aryl halide - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - 1,2-diol - Amino acid or derivatives - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organobromide - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen 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