Compound Identification
SMILES
CC(C)C1=C(O)C(O)=C(C=O)C2=C(O)C(=C(C)C=C12)C1=C(C)C=C2C(C(C)C)=C(O)C(=O)\C(=C\NC3=CC=CC=C3SSC3=CC=CC=C3N)C2=C1O
InChIKey
InChIKey=PVMRMNNOUHLCHI-KOEQRZSOSA-N
Formula
C42H40N2O7S2
Mass
748.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Sesquiterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Sesquiterpenoids
Alternative Parents
Naphthols and derivatives Cumenes Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids Aryl-aldehydes Vinylogous amides Vinylogous acids Cyclic ketones Organic disulfides Enols Enamines Sulfenyl compounds Polyols Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cadinane sesquiterpenoid - Sesquiterpenoid - 2-naphthol - 1-naphthol - Naphthalene - Cumene - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Vinylogous amide - Cyclic ketone - Ketone - Organic disulfide - Sulfenyl compound - Polyol - Enamine - Enol - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Aldehyde - Primary amine - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
Not available