Compound Identification
SMILES
COC1=C2OC(=O)C=CC2=C(COCCCN(C)CCCNC2=C3C=CC=CC3=NC3=CC=CC=C23)C2=C1OC=C2
InChIKey
InChIKey=UIPWZEMTWKAWQH-UHFFFAOYSA-N
Formula
C33H33N3O5
Mass
551.643
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
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Subclass
Furanocoumarins
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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
Acridines 4-aminoquinolines 1-benzopyrans Benzofurans Anisoles Secondary alkylarylamines Pyranones and derivatives Alkyl aryl ethers Aminopyridines and derivatives Heteroaromatic compounds Furans Trialkylamines Lactones Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-methoxypsoralen - Acridine - Benzoquinoline - 4-aminoquinoline - Aminoquinoline - Benzopyran - 1-benzopyran - Quinoline - Benzofuran - Anisole - Alkyl aryl ether - Aminopyridine - Pyranone - Secondary aliphatic/aromatic amine - Benzenoid - Pyran - Pyridine - Heteroaromatic compound - Furan - Tertiary amine - Tertiary aliphatic amine - Lactone - Secondary amine - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen 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