Compound Identification
SMILES
COC1=CC=C(C=C1)C1NC(=S)NC(=C1)C1=C(C)C2=C(O1)C=CC1=C2OC(=O)C=C1C
InChIKey
InChIKey=MPBPWAGRNACXHW-UHFFFAOYSA-N
Formula
C24H20N2O4S
Mass
432.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Benzofurans Phenoxy compounds Anisoles Methoxybenzenes Pyrimidinethiones Pyranones and derivatives 2-Thiopyrimidines Alkyl aryl ethers Hydropyrimidines Furans Heteroaromatic compounds Thioureas Lactones Azacyclic compounds Oxacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Benzopyran - 1-benzopyran - Benzofuran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Pyranone - Pyrimidinethione - Monocyclic benzene moiety - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Furan - Thiourea - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Ether - Organic oxide - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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