Compound Identification
SMILES
C[C@@H]1C2=C(O[C@]1(C)CC\C=C(/C)CC(=O)C=C(C)C)OC1=C(C=CC(O)=C1)C2=O
InChIKey
InChIKey=OROKUKZIDYKSRX-BAFNZYHESA-N
Formula
C24H28O5
Mass
396.483
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Chromones Aromatic monoterpenoids Furopyrans 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Enones Vinylogous esters Acryloyl compounds Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromone - Coumarin - Aromatic monoterpenoid - Benzopyran - Monoterpenoid - 1-benzopyran - Furopyran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Acryloyl-group - Enone - Furan - Vinylogous ester - Alpha,beta-unsaturated ketone - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available