Compound Identification
SMILES
COC(=O)CSC1C(O)C(OC2=C1C=CC(OC)=C2)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=NNPRHQSMDVDHJI-UHFFFAOYSA-N
Formula
C21H24O7S
Mass
420.48
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
3'-O-methylated flavonoids 4'-O-methylated flavonoids 3-hydroxyflavonoids Flavan-3-ols 1-benzopyrans Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Methyl esters Secondary alcohols Dialkylthioethers Monocarboxylic acids and derivatives Sulfenyl compounds Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 3-hydroxyflavonoid - Hydroxyflavonoid - Flavan-3-ol - Flavan - O-dimethoxybenzene - Dimethoxybenzene - Benzopyran - Chromane - 1-benzopyran - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Alcohol - Organosulfur compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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