Compound Identification
SMILES
COC(=O)C[C@H]1C[C@@]2(S[C@@]34C[C@H](CC(O)=O)O[C@@H](C)[C@]3(O)C(=O)C3=C(C=CC=C3O)C4=O)C(=O)C3=C(C(O)=CC=C3)C(=O)[C@@]2(O)[C@@H](C)O1
InChIKey
InChIKey=MKOAPXKBCQXWGX-FXHHYVNESA-N
Formula
C33H32O14S
Mass
684.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Naphthopyrans
- Subclass Naphthopyranones
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Class
Naphthopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Naphthopyrans
Subclass
Naphthopyranones
Intermediate Tree Nodes
Not available
Direct Parent
Naphthopyranones
Alternative Parents
Naphthoquinones Tetralins Aryl alkyl ketones Quinones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Dicarboxylic acids and derivatives Oxanes Tertiary alcohols Methyl esters Vinylogous acids Oxacyclic compounds Dialkylthioethers Dialkyl ethers Carboxylic acids Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthopyranone - Naphthoquinone - Naphthalene - Tetralin - Quinone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Dicarboxylic acid or derivatives - Oxane - Pyran - Benzenoid - Tertiary alcohol - Methyl ester - Vinylogous acid - Carboxylic acid ester - Ketone - Dialkylthioether - Oxacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthopyranones. These are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system.
External Descriptors
Not available