Compound Identification
SMILES
CC1(C)OC2=C(C3=C(C=CC(=O)O3)C=C2)C(=CNNC(N)=S)C1=O
InChIKey
InChIKey=HCJHODBRZJWVLY-UHFFFAOYSA-N
Formula
C16H15N3O4S
Mass
345.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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Subclass
Pyranocoumarins
- Level 5 Angular pyranocoumarins
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Subclass
Pyranocoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Pyranocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular pyranocoumarins
Alternative Parents
Pyranochromenes 2,2-dimethyl-1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Vinylogous amides Thiosemicarbazides Heteroaromatic compounds Lactones Cyclic ketones Oxacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Thiosemicarbazide - Vinylogous amide - Ketone - Lactone - Cyclic ketone - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.
External Descriptors
Not available