Compound Identification
SMILES
CC1(C)C2CC(O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)C3=COC=C3)C2(C)CCC1=O
InChIKey
InChIKey=WDUBDMHNLXNHDG-UHFFFAOYSA-N
Formula
C26H34O6
Mass
442.552
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 Naphthalenes 1,4-dioxepanes Delta valerolactones Pyrans Oxanes Heteroaromatic compounds Furans Secondary alcohols Carboxylic acid esters Cyclic ketones Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Naphthopyran - Naphthalene - 1,4-dioxepane - Delta valerolactone - Dioxepane - Delta_valerolactone - Oxane - Pyran - Cyclic alcohol - Furan - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Cyclic ketone - Ketone - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - 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