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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Pyranocoumarins
- Level 5 Angular pyranocoumarins
-
Subclass
Pyranocoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Pyranocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular pyranocoumarins
Alternative Parents
Pyranochromenes 2,2-dimethyl-1-benzopyrans Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Pyranones and derivatives Aryl chlorides Thioamides Furans Heteroaromatic compounds Lactones Secondary alcohols Thiocarboxylic acid amides Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Thiocarbonyl compounds Organonitrogen compounds Organopnictogen compounds
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