Compound Identification
SMILES
COC1=C2C(C)=CC(=O)OC2=C(O)C2=C1C=CO2
InChIKey
InChIKey=UJJLDMJLQRYKDW-UHFFFAOYSA-N
Formula
C13H10O5
Mass
246.218
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
-
Level 5
Linear furanocoumarins
-
Level 6
Psoralens
- Level 7 5-methoxypsoralens
-
Level 6
Psoralens
-
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
5-methoxypsoralens
Alternative Parents
8-hydroxypsoralens 1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Phenols Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - 8-hydroxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Phenol ether - Pyranone - Phenol - Alkyl aryl ether - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group.
External Descriptors
Not available