Compound Identification
SMILES
C[C@@H]1OC2=C([C@@H](O)[C@H]1C)C1=C(C(COC3OC(CO)C(O)C(O)C3OC(C)=O)=CC(=O)O1)C1=C2CCC(C)(C)O1
InChIKey
InChIKey=HJIRONKLYSGLHX-QXVLUIKTSA-N
Formula
C28H36O12
Mass
564.584
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 Hexoses O-glycosyl compounds Pyranones and derivatives Alkyl aryl ethers Oxanes Benzenoids Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Lactones Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Pyranochromene - Hexose monosaccharide - 2,2-dimethyl-1-benzopyran - Glycosyl compound - O-glycosyl compound - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Benzenoid - Monosaccharide - Pyran - Oxane - Heteroaromatic compound - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Carboxylic acid derivative - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Organooxygen compound - 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