Compound Identification
SMILES
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C3OC(C)(C)OC3[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](OC(=O)[C@H]4O[C@@]34[C@]12C)C1=COC=C1
InChIKey
InChIKey=PAAPNDHNFMDORQ-BMQDYCMHSA-N
Formula
C31H40O9
Mass
556.652
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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 Ketals Delta valerolactones Pyrans Oxanes Dicarboxylic acids and derivatives 1,3-dioxolanes Heteroaromatic compounds Furans Ketones Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Naphthopyran - Naphthalene - 1,4-dioxepane - Delta valerolactone - Dioxepane - Delta_valerolactone - Ketal - Oxane - Pyran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Meta-dioxolane - Furan - Carboxylic acid ester - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Acetal - Oxirane - Ether - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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