Compound Identification
SMILES
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2[C@@H]3[C@@H](O)C(O[C@@H]3OC2=C1)N(C=O)C1=C(N)NC(N)=NC1=O
InChIKey
InChIKey=YTANVFIRTSKBOF-MHKTTXRSSA-N
Formula
C22H19N5O9
Mass
497.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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Subclass
Furanocoumarins
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Level 5
Angular furanocoumarins
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Level 6
Aflatoxins
- Level 7 Difurocoumarocyclopentenones
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Level 6
Aflatoxins
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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 Anisoles Aryl alkyl ketones Alkyl aryl ethers Aminopyrimidines and derivatives Pyrimidones Pyranones and derivatives Primary aromatic amines Hydropyrimidines Vinylogous amides Tertiary carboxylic acid amides Oxolanes Heteroaromatic compounds Secondary alcohols Amino acids and derivatives Lactones Azacyclic compounds Oxacyclic compounds Acetals Organopnictogen compounds Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Difurocoumarocyclopentenone - Difurocoumarin - 1-benzopyran - Benzopyran - Coumaran - Aryl ketone - Aryl alkyl ketone - Anisole - Pyrimidone - Aminopyrimidine - Pyranone - Alkyl aryl ether - Hydropyrimidine - Pyran - Pyrimidine - Primary aromatic amine - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Oxolane - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Ketone - Lactone - Secondary alcohol - Organoheterocyclic compound - Acetal - Azacycle - Ether - Oxacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - 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