Compound Identification
SMILES
C[C@H]1OC(=O)[C@@]2(CC3=C(O)C(=CC(C)=C3O)C(C)=O)CC3=C(O)C(=CC(C)=C3O[C@@]12O)C(C)=O
InChIKey
InChIKey=PJEDYQWLAZPOEC-ZIHYYHESSA-N
Formula
C25H26O9
Mass
470.474
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Homoisoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Homoisoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Homoisoflavonoids
Alternative Parents
Alkyl-phenylketones 1-benzopyrans Acetophenones Resorcinols Para cresols Ortho cresols Aryl alkyl ketones Benzoyl derivatives Toluenes Gamma butyrolactones Vinylogous acids Oxolanes Carboxylic acid esters Hemiacetals Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoisoflavonoid - Alkyl-phenylketone - Chromane - Benzopyran - 1-benzopyran - Acetophenone - Phenylketone - O-cresol - P-cresol - Resorcinol - Benzoyl - Aryl ketone - Aryl alkyl ketone - Phenol - Toluene - Benzenoid - Monocyclic benzene moiety - Gamma butyrolactone - Vinylogous acid - Oxolane - Lactone - Ketone - Hemiacetal - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as homoisoflavonoids. These are naturally occurring oxygen heterocycles with a structure based on a 16-carbon skeleton including a chromanone, chromone or chromane system with a benzyl group at position C-3.
External Descriptors
Not available