Compound Identification
SMILES
CC1=CC(=O)OC2=C(C)C3=C(C=C12)C(C[N+](C)(C)C)CO3
InChIKey
InChIKey=AWMJCUJWBHCLQV-UHFFFAOYSA-N
Formula
C17H22NO3
Mass
288.366
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
Linear furanocoumarins
- Level 6 Psoralens
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Level 5
Linear furanocoumarins
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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
Linear furanocoumarins
Direct Parent
Psoralens
Alternative Parents
1-benzopyrans Coumarans Pyranones and derivatives Aralkylamines Alkyl aryl ethers Benzenoids Tetraalkylammonium salts Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzopyran - 1-benzopyran - Coumaran - Alkyl aryl ether - Pyranone - Aralkylamine - Pyran - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic cation - 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