Compound Identification
SMILES
CC1(C)CCN2CCC(C)(C)C3=C4OC(=O)C(\C=C(/C#N)C5=CC=C(S5)C5=CC=C(S5)\C=C(\C#N)C(O)=O)=CC4=CC1=C23
InChIKey
InChIKey=KRXBTMUUHDCKSL-TZKOODLUSA-N
Formula
C34H29N3O4S2
Mass
607.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Bi- and oligothiophenes Hydroquinolines Dialkylarylamines Pyranones and derivatives 2,5-disubstituted thiophenes Aralkylamines Benzenoids Heteroaromatic compounds Amino acids Lactones Monocarboxylic acids and derivatives Azacyclic compounds Nitriles Oxacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Bithiophene - Tetrahydroquinoline - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Pyranone - 2,5-disubstituted thiophene - Benzenoid - Pyran - Heteroaromatic compound - Thiophene - Lactone - Amino acid or derivatives - Amino acid - Tertiary amine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available