Compound Identification
SMILES
CC[C@H]1CN2[C@@H]1C1(CCCCC1)SSCC1=CC[C@@](C)(OC(=O)C(\C)=C\C)[C@@]3(Cc4cc5C=CC(=O)Oc5cc4O3)[C@H]1C1=C(CNC(N)=C1)CC2=O
InChIKey
InChIKey=DUGLNGJLZBMMFZ-CEIQHQNBSA-N
Formula
C41H49N3O6S2
Mass
743.98
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 Coumarans Pyranones and derivatives Fatty acid esters Dihydropyridines Alkyl aryl ethers N-acyl amines Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Enoate esters Lactones Lactams Dialkyldisulfides Azetidines Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - 1-benzopyran - Benzopyran - Coumaran - Pyranone - Fatty acid ester - Dihydropyridine - Alkyl aryl ether - Fatty acyl - Benzenoid - Pyran - N-acyl-amine - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Dialkyldisulfide - Organic disulfide - Lactone - Lactam - Carboxylic acid ester - Carboxamide group - Azetidine - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Secondary amine - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - 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