Compound Identification
SMILES
CCCC1=CC(=O)OC2=C3[C@@H](O)[C@@](C)(OC3=CC(OCCN3CCOCC3)=C12)[N+]([O-])=O
InChIKey
InChIKey=QHHKZJGJILYADI-NHCUHLMSSA-N
Formula
C21H26N2O8
Mass
434.445
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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Subclass
Furanocoumarins
- Level 5 Angular furanocoumarins
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Subclass
Furanocoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Furanocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular furanocoumarins
Alternative Parents
1-benzopyrans Coumarans Phenol ethers Pyranones and derivatives Alkyl aryl ethers Morpholines Heteroaromatic compounds Trialkylamines Secondary alcohols C-nitro compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Benzopyran - 1-benzopyran - Coumaran - Phenol ether - Alkyl aryl ether - Pyranone - Morpholine - Oxazinane - Pyran - Benzenoid - Heteroaromatic compound - Lactone - C-nitro compound - Organic nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Organic zwitterion - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
External Descriptors
Not available