Compound Identification
SMILES
C[C@H]1CC(C[C@@]2(C)C(C)OC3=C2C(=O)OC2=CC=CC=C32)OC1=O
InChIKey
InChIKey=ZMKRODNVESYSPD-WUVPNGRZSA-N
Formula
C19H20O5
Mass
328.364
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
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
1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Gamma butyrolactones Benzenoids Vinylogous esters Oxolanes Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Gamma butyrolactone - Benzenoid - Pyran - Heteroaromatic compound - Oxolane - Vinylogous ester - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - 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