Compound Identification
SMILES
CCCC1=CC(=O)OC2=C1C1=C([C@@H](OC(=O)C3=CC=C(Br)C=C3)[C@@H](OC(=O)C3=CC=C(Br)C=C3)C(C)(C)O1)C1=C2[C@@H](OC(=O)C2=CC=C(Br)C=C2)[C@@H](C)[C@H](C)O1
InChIKey
InChIKey=XANZHMLKDMKPSX-NBQRKVAKSA-N
Formula
C43H37Br3O10
Mass
953.471
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
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Subclass
Pyranocoumarins
- Level 5 Angular pyranocoumarins
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Subclass
Pyranocoumarins
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Class
Coumarins and derivatives
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Pyranocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular pyranocoumarins
Alternative Parents
Pyranochromenes 2,2-dimethyl-1-benzopyrans 4-halobenzoic acids and derivatives Benzoic acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Benzoate ester - Chromane - Benzopyran - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyranone - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Aryl bromide - Heteroaromatic compound - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.
External Descriptors
Not available