Compound Identification
SMILES
O=C(OC1=CC2=C(C=C1)C1=C(S2)C2=C(OC1C1=CC=C(OCCN3CCCCC3)C=C1)C=C(OC(=O)C1=CC=CC=C1)C=C2)C1=CC=CC=C1
InChIKey
InChIKey=WDANRAMULQDBJY-UHFFFAOYSA-N
Formula
C42H35NO6S
Mass
681.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavonoids
Alternative Parents
Phenol esters 1-benzopyrans Benzoic acid esters 1-benzothiophenes Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Piperidines Thiophenes Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavonoid - Benzoate ester - Benzopyran - Phenol ester - 1-benzopyran - Benzoic acid or derivatives - Benzothiophene - 1-benzothiophene - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Piperidine - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Ether - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavonoids. These are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available