Compound Identification
SMILES
CC1=C(C)C2=C(OC1=O)C=C1OC=C(C1=C2)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=DMCAJZQNVLIWJQ-UHFFFAOYSA-N
Formula
C21H16O5
Mass
348.354
Taxonomic Classification
Taxonomy Tree
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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
Linear furanocoumarins
- Level 6 Psoralens
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Level 5
Linear 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
Linear furanocoumarins
Direct Parent
Psoralens
Alternative Parents
Benzo-1,4-dioxanes 1-benzopyrans Benzofurans Pyranones and derivatives Alkyl aryl ethers Para dioxins Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Benzofuran - Alkyl aryl ether - Pyranone - Pyran - Para-dioxin - Benzenoid - Furan - Heteroaromatic compound - Lactone - Ether - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
External Descriptors
Not available