Compound Identification
SMILES
OC1=C(C(=O)Oc2cc(OCCCN3CCN(Cc4ccc(Cl)cc4)CC3)ccc12)[N+]([O-])=O
InChIKey
InChIKey=ONMPZRGRFSUUCZ-UHFFFAOYSA-N
Formula
C23H24ClN3O6
Mass
473.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 4-hydroxycoumarins
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Subclass
Hydroxycoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
4-hydroxycoumarins
Alternative Parents
1-benzopyrans Benzylamines Nitroaromatic compounds Phenol ethers Phenylmethylamines Alkyl aryl ethers Aralkylamines Chlorobenzenes N-alkylpiperazines Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Vinylogous acids Lactones Trialkylamines Organic oxoazanium compounds Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxycoumarin - Benzopyran - 1-benzopyran - Nitroaromatic compound - Phenol ether - Phenylmethylamine - Benzylamine - Alkyl aryl ether - Pyranone - N-alkylpiperazine - Aralkylamine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Piperazine - Pyran - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Heteroaromatic compound - Vinylogous acid - Organic nitro compound - C-nitro compound - Tertiary amine - Lactone - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic salt - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.
External Descriptors
Not available