Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCC3=C(C)C=CC(O)=C3)[C@H](O)CC[C@]12C
InChIKey
InChIKey=RAIDHOLJIAWOMY-DKQGWWAXSA-N
Formula
C27H44O2
Mass
400.647
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Sesquiterpenoid - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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
LIPIDMAPS (LMST03020242) : Vitamin D3 and derivatives