Compound Identification
SMILES
COC1=CC2=C(C=C1)C(=O)[C@@H](OC(=O)NC1=CC(OC)=C(OC)C(OC)=C1)[C@@H](O2)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=CMLHFCCKWVBSPB-UKILVPOCSA-N
Formula
C27H24F3NO8
Mass
547.483
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 7-O-methylated flavonoids
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Subclass
O-methylated flavonoids
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
O-methylated flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
7-O-methylated flavonoids
Alternative Parents
Flavanonols Phenylcarbamic acid esters Chromones Trifluoromethylbenzenes Methoxyanilines Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Alkyl aryl ethers Carbamate esters Oxacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyflavonoid-skeleton - Flavanone - Flavanonol - Flavan - Phenylcarbamic acid ester - Chromone - Trifluoromethylbenzene - Benzopyran - Chromane - 1-benzopyran - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
External Descriptors
Not available