Compound Identification
SMILES
COC1=C2OC(=O)C=CC2=C(C=CC(C)(C)OO)C2=C1OC=C2
InChIKey
InChIKey=JUFMJFCBUMNBJS-UHFFFAOYSA-N
Formula
C17H16O6
Mass
316.309
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
1-benzopyrans Benzofurans Styrenes Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Peroxols Oxacyclic compounds Alkyl hydroperoxides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Anisole - Styrene - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Hydroperoxide - Alkyl hydroperoxide - Oxacycle - Ether - Organoheterocyclic compound - Peroxol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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