Compound Identification
SMILES
C\C=C(\C)C(=O)OC(COC1=C2OC=CC2=C(O)C2=C1OC(=O)C=C2)C(C)(C)O
InChIKey
InChIKey=CWNOGGIUFLHPSX-WZUFQYTHSA-N
Formula
C21H22O8
Mass
402.399
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
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Subclass
Furanocoumarins
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Level 5
Linear furanocoumarins
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Level 6
Psoralens
- Level 7 5-hydroxypsoralens
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Level 6
Psoralens
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Level 5
Linear 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
Linear furanocoumarins - Psoralens
Direct Parent
5-hydroxypsoralens
Alternative Parents
1-benzopyrans Benzofurans Phenol ethers Pyranones and derivatives Phenols Alkyl aryl ethers Fatty acid esters Tertiary alcohols Enoate esters Heteroaromatic compounds Furans Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-hydroxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Phenol ether - Alkyl aryl ether - Fatty acid ester - Phenol - Pyranone - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 5-hydroxypsoralens. These are psoralens containing a hydroxyl group attached at the C5 position of the psoralen group.
External Descriptors
Not available