Compound Identification
SMILES
CC(=O)O[C@H]1C[C@]2(C)[C@@H](OC(=O)[C@H]3O[C@]23[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3C(C)(C)C(=O)C=C[C@@]3(C)[C@@H]12)C1=COC=C1
InChIKey
InChIKey=APNPMMWLODZXGC-DLNYKIQPSA-N
Formula
C32H38O11
Mass
598.645
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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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
Naphthopyrans Tetracarboxylic acids and derivatives Naphthalenes Delta valerolactones Cyclohexenones 1,4-dioxepanes Pyrans Oxanes Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Naphthopyran - Tetracarboxylic acid or derivatives - Naphthalene - Cyclohexenone - Delta_valerolactone - Dioxepane - Delta valerolactone - 1,4-dioxepane - Pyran - Oxane - Heteroaromatic compound - Furan - Cyclic ketone - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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