Compound Identification
SMILES
OC1C(CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=CC=CC=C3S1)C=C2
InChIKey
InChIKey=LCAPWOOVIYFGCH-UHFFFAOYSA-N
Formula
C25H21NO5S
Mass
447.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Homoisoflavonoids
- Subclass Homoisoflavans
-
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
1-benzopyrans Benzothiazoles Benzoic acids Phenol ethers Benzoyl derivatives Alkyl aryl ethers Thiazoles Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoisoflavan - Chromane - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzoic acid - 1,3-benzothiazole - Phenol ether - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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