Compound Identification
SMILES
O=C1OC2=C(OCCCN3CCN(CCNC4=C5C=CC=CC5=NC5=CC=CC=C45)CC3)C3=C(C=CO3)C=C2C=C1
InChIKey
InChIKey=GXYQWZLELADZSC-UHFFFAOYSA-N
Formula
C33H32N4O4
Mass
548.643
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 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
Direct Parent
Psoralens
Alternative Parents
Acridines 4-aminoquinolines 1-benzopyrans Benzofurans Secondary alkylarylamines Pyranones and derivatives N-alkylpiperazines Aminopyridines and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Furans Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzoquinoline - Acridine - 4-aminoquinoline - Aminoquinoline - 1-benzopyran - Quinoline - Benzopyran - Benzofuran - N-alkylpiperazine - Secondary aliphatic/aromatic amine - Pyranone - Aminopyridine - Alkyl aryl ether - Benzenoid - Pyridine - Pyran - Piperazine - 1,4-diazinane - Heteroaromatic compound - Furan - Tertiary aliphatic amine - Tertiary amine - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
External Descriptors
Not available