Compound Identification
SMILES
CC1O[C@]23C4=C(C)C=CC=C4OC(=O)[C@@]22[C@@H]4C(C[C@@]12C)OC(=O)[C@]34C
InChIKey
InChIKey=LQWKCEWXDVNHSN-GTPKTLKUSA-N
Formula
C20H20O5
Mass
340.375
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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Subclass
Furanocoumarins
- Level 5 Angular furanocoumarins
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Subclass
Furanocoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Furanocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular furanocoumarins
Alternative Parents
3,4-dihydrocoumarins 1-benzopyrans Oxepanes Gamma butyrolactones Dicarboxylic acids and derivatives Benzenoids Oxolanes Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Caprolactone - Oxepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - Benzenoid - Oxolane - Lactone - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
External Descriptors
Not available