Structure Information
Structure

Compound Identification

SMILES

CC(C)=CCOC1=C(Cl)C=CC(NC(=S)C2=C(C)OC=C2)=C1.CCCC1=CC(=O)OC2=C1C1=C(CCC(C)(C)O1)C1=C2[C@@H](O)[C@@H](C)[C@H](C)O1

InChIKey

InChIKey=XRHLAPCQDGIIOV-LEJDKEAZSA-N

Formula

C39H46ClNO7S

Mass

708.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Pyranocoumarins

Intermediate Tree Nodes

Not available

Direct Parent

Angular pyranocoumarins

Alternative Parents

Molecular Framework

Not available

Substituents

Angular pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Benzenoid - Pyran - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thioamide - Heteroaromatic compound - Furan - Secondary alcohol - Lactone - Organoheterocyclic compound - Thiocarboxylic acid amide - Oxacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Thiocarbonyl group - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.

External Descriptors

Not available

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