Compound Identification
SMILES
C\C(CCC1OC1(C)C)=C/COC1=C2C=COC2=CC2=C1C=CC1(OC(CC\C(C)=C\COC3=CC4=C(C=CC(=O)O4)C=C3)C(C)(C)O1)O2
InChIKey
InChIKey=XAKXAFWXIUEQSQ-ZZZAPRPPSA-N
Formula
C40H44O9
Mass
668.783
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
1-benzopyrans Benzofurans Phenol ethers Pyranones and derivatives Alkyl aryl ethers Carboxylic acid orthoesters Ortho esters Heteroaromatic compounds Furans 1,3-dioxolanes Lactones Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzofuran - Phenol ether - Alkyl aryl ether - Carboxylic acid orthoester - Ortho ester - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Meta-dioxolane - Orthocarboxylic acid derivative - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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