Compound Identification
SMILES
COC1=C2OC(=O)C=C(N)C2=C(OC)C2=C1OC=C2
InChIKey
InChIKey=RBXXLAKQHOKQKU-UHFFFAOYSA-N
Formula
C13H11NO5
Mass
261.233
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 8-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
8-methoxypsoralens
Alternative Parents
5-methoxypsoralens 1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Furans Lactones Oxacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - 8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Phenol ether - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Vinylogous amide - Heteroaromatic compound - Furan - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Primary amine - Organooxygen compound - 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