Compound Identification
SMILES
COC1=C(C\C=C(\C)CCC=C(C)C)C2=C(C=CC(=O)O2)C(O)=C1.CC(C)=CCC\C(C)=C/CC1=C2OC=CC2=C(O)C2=C1OC(=O)C=C2
InChIKey
InChIKey=SFYIQCDMJFVSEY-ZEMFQRGKSA-N
Formula
C41H46O8
Mass
666.811
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
Terpene lactones Hydroxycoumarins Aromatic monoterpenoids 1-benzopyrans Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
5-hydroxypsoralen - Terpene lactone - Hydroxycoumarin - Monoterpenoid - Benzopyran - 1-benzopyran - Aromatic monoterpenoid - Benzofuran - Anisole - Alkyl aryl ether - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - 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