Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Linear furanocoumarins

Direct Parent

Psoralens

Alternative Parents

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

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