Compound Identification
SMILES
C\C(CCC(O)C(C)(C)O)=C/COC1=CC(=O)OC2=C1C=C1C=COC1=C2
InChIKey
InChIKey=QBXLTTSHNDZQPD-AWNIVKPZSA-N
Formula
C21H24O6
Mass
372.417
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
- 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
Direct Parent
Psoralens
Alternative Parents
1-benzopyrans Benzofurans Fatty alcohols Alkyl aryl ethers Pyranones and derivatives Benzenoids Heteroaromatic compounds Furans Tertiary alcohols Vinylogous esters Lactones Secondary alcohols 1,2-diols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Fatty alcohol - Alkyl aryl ether - Pyranone - Pyran - Fatty acyl - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Furan - Vinylogous ester - Secondary alcohol - Lactone - 1,2-diol - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
External Descriptors
Not available