Compound Identification
SMILES
COC1=C2OC(=O)C=C(OS(=O)(=O)C3=CC=C(NC(C)=O)C=C3)C2=C(OC)C2=C1OC=C2
InChIKey
InChIKey=TWJYBNYOUYONMJ-UHFFFAOYSA-N
Formula
C21H17NO9S
Mass
459.43
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 Benzenesulfonate esters 1-benzopyrans Acetanilides N-acetylarylamines Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Acetamides Heteroaromatic compounds Furans Lactones Secondary carboxylic acid amides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxypsoralen - 8-methoxypsoralen - Benzenesulfonate ester - Benzopyran - Acetanilide - Benzenesulfonate - 1-benzopyran - N-acetylarylamine - Benzenesulfonyl group - Benzofuran - Anilide - Arylsulfonic acid or derivatives - Anisole - Phenol ether - N-arylamide - Alkyl aryl ether - Pyranone - Organosulfonic acid ester - Pyran - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Acetamide - Heteroaromatic compound - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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