Compound Identification
SMILES
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2C3C(O)C(OC3OC2=C1)N1C=[N+](C2CC(O)C(COP(O)(O)=O)O2)C2=C1C(=O)N=C(N)N2
InChIKey
InChIKey=OBYKYKOLZOZQPE-UHFFFAOYSA-O
Formula
C27H27N5O14P
Mass
676.507
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
Purine 2'-deoxyribonucleoside monophosphates Difurocoumarins 1-benzopyrans 6-oxopurines Hypoxanthines Coumarans Anisoles Aryl alkyl ketones Pyrimidones Pyranones and derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Monoalkyl phosphates Primary aromatic amines N-substituted imidazoles Vinylogous amides Oxolanes Heteroaromatic compounds Secondary alcohols Lactones Azacyclic compounds Oxacyclic compounds Acetals Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Difurocoumarocyclopentenone - Purine 2'-deoxyribonucleoside monophosphate - Difurocoumarin - 6-oxopurine - 1-benzopyran - Hypoxanthine - Benzopyran - Purine - Imidazopyrimidine - Coumaran - Aryl alkyl ketone - Aryl ketone - Anisole - Aminopyrimidine - Alkyl aryl ether - Pyranone - Pyrimidone - Monoalkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Primary aromatic amine - Benzenoid - Pyran - Pyrimidine - Alkyl phosphate - Vinylogous amide - Oxolane - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Ketone - Lactone - Oxacycle - Ether - Azacycle - Acetal - Organoheterocyclic compound - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Alcohol - Organic oxygen compound - Organic oxide - Organopnictogen compound - Amine - Organic nitrogen compound - Organic cation - 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