Compound Identification
SMILES
[Na+].COC1=C(C[C@H]2COC3=C(C=C(OCC4=NC5=C(C=CC(Cl)=C5)C=C4)C=C3)[C@H]2O)C=C([N-]S(=O)(=O)C(F)(F)F)C=C1
InChIKey
InChIKey=FZCWCSNKAGYOMQ-ODKNNXLPSA-N
Formula
C28H23ClF3N2NaO6S
Mass
630.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Homoisoflavonoids
- Subclass Homoisoflavans
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Class
Homoisoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Homoisoflavonoids
Subclass
Homoisoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Homoisoflavans
Alternative Parents
Chloroquinolines Sulfanilides 1-benzopyrans Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Trihalomethanes Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic metal halides Organic sodium salts Organic zwitterions Organonitrogen compounds Organochlorides Organofluorides Hydrocarbon derivatives Organic oxides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoisoflavan - Haloquinoline - Chloroquinoline - Chromane - Benzopyran - Quinoline - Sulfanilide - 1-benzopyran - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridine - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary alcohol - Trihalomethane - Azacycle - Ether - Organic metal halide - Oxacycle - Organoheterocyclic compound - Organic alkali metal salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organosulfur compound - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Organic zwitterion - Organic salt - Alcohol - Alkyl halide - Organic sodium salt - Halomethane - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as homoisoflavans. These are homoisoflavonoids with a structure based on the chromane system. Chromone is a bicyclic compound consisting of a 3,4-dihydro-1-benzopyran.
External Descriptors
Not available