Compound Identification
SMILES
C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(CCC1O2)=CC1=CC=CC=C1CN1O[C@@H]2[C@H]3OCO[C@H]3[C@@H]3C[C@@]2([C@@H]1C(=O)O3)C(=O)NCCC(=O)NCCO
InChIKey
InChIKey=VVELNAXZMCXZFY-HEYKFMAMSA-N
Formula
C37H49N3O9
Mass
679.811
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Terpene lactones
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Terpene lactones
Alternative Parents
Sesquiterpenoids Alpha amino acid esters Beta amino acids and derivatives N-acylethanolamines Delta valerolactones Oxanes Benzene and substituted derivatives 1,3-dioxolanes Isoxazolidines Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Epoxides Dialkyl ethers Monocarboxylic acids and derivatives N-organohydroxylamines Acetals Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Terpene lactone - Caryophyllane sesquiterpenoid - Sesquiterpenoid - Alpha-amino acid ester - Beta amino acid or derivatives - Alpha-amino acid or derivatives - N-acylethanolamine - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Oxane - Meta-dioxolane - Isoxazolidine - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Acetal - Oxacycle - Dialkyl ether - Oxirane - Ether - Azacycle - N-organohydroxylamine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
External Descriptors
Not available