Compound Identification
SMILES
CC(=C)[C@@H](COC1=C2OC=CC2=CC2=C1OC(=O)C=C2)OC(C)(C)[C@H](O)COC1=C2O[C@]3(O[C@H](COC4=C5OC=CC5=CC5=C4OC(=O)C=C5)C(C)(C)O3)C=CC2=CC2=C1OC=C2
InChIKey
InChIKey=NTWDPJZQXCEWOS-BAMQXESDSA-N
Formula
C48H42O15
Mass
858.849
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 Pyranones and derivatives Ortho esters Carboxylic acid orthoesters Alkyl aryl ethers Benzenoids Heteroaromatic compounds Furans 1,3-dioxolanes Secondary alcohols Lactones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - 1-benzopyran - Benzopyran - Benzofuran - Pyranone - Ortho ester - Carboxylic acid orthoester - Alkyl aryl ether - Benzenoid - Pyran - Heteroaromatic compound - Furan - Meta-dioxolane - Secondary alcohol - Orthocarboxylic acid derivative - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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