Compound Identification
SMILES
CCOC(=O)COC1=CC(=O)OC2=C(OC)C3=C(C=CO3)C(OC)=C12
InChIKey
InChIKey=RFISPFJVEWTAKW-UHFFFAOYSA-N
Formula
C17H16O8
Mass
348.307
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
-
Level 5
Linear furanocoumarins
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Level 6
Psoralens
- Level 7 8-methoxypsoralens
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Level 6
Psoralens
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Level 5
Linear 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
Linear furanocoumarins - Psoralens
Direct Parent
8-methoxypsoralens
Alternative Parents
5-methoxypsoralens 1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Furans Heteroaromatic compounds Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - 8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Vinylogous ester - Furan - Heteroaromatic compound - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 8-methoxypsoralens. These are psoralens containing a methoxy group attached at the C8 position of the psoralen group.
External Descriptors
Not available