Compound Identification
SMILES
COC1=C(OC)C=C(CC[NH+](C)CC2=CC(=O)OC3=C2C=CC(O)=C3)C=C1
InChIKey
InChIKey=WKSQAYANGFADJW-UHFFFAOYSA-O
Formula
C21H24NO5
Mass
370.424
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
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Subclass
Hydroxycoumarins
- Level 5 7-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
7-hydroxycoumarins
Alternative Parents
1-benzopyrans Dimethoxybenzenes Phenethylamines Anisoles Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Pyranones and derivatives Heteroaromatic compounds Quaternary ammonium salts Trialkylamines Lactones Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Benzopyran - Phenethylamine - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Benzenoid - Pyran - Monocyclic benzene moiety - Quaternary ammonium salt - Heteroaromatic compound - Lactone - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors
Not available