Compound Identification
SMILES
CC(C)=CCC\C(C)=C\COC1=C2C=COC2=C(O)C2=C1C=CC(=O)O2
InChIKey
InChIKey=NYBJTQCCTNMUBM-NTEUORMPSA-N
Formula
C21H22O5
Mass
354.402
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 8-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
8-hydroxypsoralens
Alternative Parents
Terpene lactones Aromatic monoterpenoids 1-benzopyrans Benzofurans Phenol ethers Pyranones and derivatives Phenols Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-hydroxypsoralen - Terpene lactone - Aromatic monoterpenoid - Benzopyran - 1-benzopyran - Monoterpenoid - Benzofuran - Phenol ether - Alkyl aryl ether - Pyranone - Phenol - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 8-hydroxypsoralens. These are psoralens containing a hydroxyl group attached at the C8 position of the psoralen group.
External Descriptors
Not available