Compound Identification
SMILES
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2[C@@H]3C[C@H](OC(=O)C(Cl)(Cl)Cl)O[C@@H]3OC2=C1
InChIKey
InChIKey=PHAMSUGDDUOCMC-FLMXLMKFSA-N
Formula
C19H13Cl3O8
Mass
475.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
-
Level 5
Angular furanocoumarins
-
Level 6
Aflatoxins
- Level 7 Difurocoumarocyclopentenones
-
Level 6
Aflatoxins
-
Level 5
Angular furanocoumarins
-
Subclass
Furanocoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Furanocoumarins
Intermediate Tree Nodes
Angular furanocoumarins - Aflatoxins
Direct Parent
Difurocoumarocyclopentenones
Alternative Parents
Difurocoumarins 1-benzopyrans Coumarans Furofurans Aryl alkyl ketones Anisoles Fatty acid esters Dihydropyranones Beta-keto acids and derivatives Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Tetrahydrofurans Heteroaromatic compounds Enones Enol esters Enoate esters Alpha-halocarboxylic acid derivatives Acryloyl compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Difurocoumarocyclopentenone - Difurocoumarin - 1-benzopyran - Benzopyran - Coumaran - Aryl alkyl ketone - Aryl ketone - Furofuran - Anisole - Pyranone - Fatty acid ester - Dihydropyranone - Beta-keto acid - Alkyl aryl ether - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyran - Keto acid - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Enone - Enol ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Acryloyl-group - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as difurocoumarocyclopentenones. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton.
External Descriptors
Not available