Compound Identification
SMILES
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2[C@@H]3[C@@H](O)[C@@H](O[C@@H]3OC2=C1)N1C=NC2=C1C(=O)N=C(N)N2
InChIKey
InChIKey=XIOUDSNTNJNQQG-CKJDJMSUSA-N
Formula
C22H17N5O8
Mass
479.405
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
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 6-oxopurines Hypoxanthines Coumarans Aryl alkyl ketones Anisoles Pyrimidones Pyranones and derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Primary aromatic amines N-substituted imidazoles Heteroaromatic compounds Oxolanes Vinylogous amides Secondary alcohols Lactones Oxacyclic compounds Acetals Azacyclic compounds Aldehydes Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Difurocoumarocyclopentenone - Difurocoumarin - 6-oxopurine - Benzopyran - Hypoxanthine - 1-benzopyran - Coumaran - Imidazopyrimidine - Purine - Anisole - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Pyranone - Pyrimidone - Alkyl aryl ether - N-substituted imidazole - Pyrimidine - Pyran - Primary aromatic amine - Benzenoid - Azole - Oxolane - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactone - Ketone - Secondary alcohol - Organoheterocyclic compound - Acetal - Azacycle - Oxacycle - Ether - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Aldehyde - Amine - Organic oxide - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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