Compound Identification
SMILES
O[C@]1(C[C@H]2CO[C@@H](C1)O2)C1=CC(OCC2=CC3=C(C=C2)C(=CC(=O)O3)C2=COC=C2)=CC(F)=C1
InChIKey
InChIKey=REHATZSDMAYYGC-LZYPDUGYSA-N
Formula
C26H21FO7
Mass
464.445
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 Phenoxy compounds Phenol ethers Pyranones and derivatives Oxepanes Alkyl aryl ethers Fluorobenzenes Oxanes Aryl fluorides Heteroaromatic compounds Furans Tertiary alcohols 1,3-dioxolanes Lactones Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Oxepane - Pyranone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Pyran - Tertiary alcohol - Meta-dioxolane - Heteroaromatic compound - Furan - Lactone - Oxacycle - Ether - Acetal - Organoheterocyclic compound - Organic oxygen compound - Alcohol - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - 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