Compound Identification
SMILES
CCOC(=O)C1=CC(=O)OC2=C1C1=CC=CC=C1C1=C2[C@@H](OC(=O)C2=CC(Cl)=CC=C2)[C@H](O)C(C)(C)O1
InChIKey
InChIKey=ALUHVYZHOZSXGB-RPBOFIJWSA-N
Formula
C28H23ClO8
Mass
522.93
Taxonomic Classification
Taxonomy Tree
-
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
-
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 Naphthopyrans 2,2-dimethyl-1-benzopyrans Benzoic acid esters Naphthalenes 3-halobenzoic acids and derivatives Benzoyl derivatives Pyranones and derivatives Chlorobenzenes Alkyl aryl ethers Dicarboxylic acids and derivatives Aryl chlorides Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Lactones Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Naphthopyran - Pyranochromene - 2,2-dimethyl-1-benzopyran - Benzoate ester - Chromane - Benzopyran - Naphthalene - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Benzenoid - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Lactone - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - 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