Compound Identification
SMILES
CC(O)=O.CC(C)C(O)=O.COC(=O)C1(C)C2CC(O)C3(C)C(C(O)C(O)C4(C)C(CC5OC345)C3=COC=C3)C2(C)C=CC1=O
InChIKey
InChIKey=ZMIVVMJTXIUTMP-UHFFFAOYSA-N
Formula
C33H46O12
Mass
634.719
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Triterpenoids
- Level 5 Limonoids
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Subclass
Triterpenoids
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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
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Limonoids
Alternative Parents
Prostaglandins and related compounds 17-furanylsteroids and derivatives 1-hydroxysteroids 3-oxo delta-1-steroids 6-hydroxysteroids Delta-1-steroids Naphthopyrans Naphthalenes Cyclohexenones Pyrans Oxanes Methyl esters Heteroaromatic compounds Furans Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Epoxides Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Limonoid skeleton - Prostaglandin skeleton - 17-furanylsteroid skeleton - Eicosanoid - 3-oxo-delta-1-steroid - 1-hydroxysteroid - 6-hydroxysteroid - Hydroxysteroid - 2-hydroxysteroid - Steroid - Delta-1-steroid - Naphthopyran - Naphthalene - Cyclohexenone - Oxane - Pyran - Fatty acyl - Heteroaromatic compound - Cyclic alcohol - Methyl ester - Furan - Cyclic ketone - Ketone - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Polyol - Oxirane - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.
External Descriptors
Not available