Compound Identification
SMILES
CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)C1=COC=C1
InChIKey
InChIKey=NAHTXVIXCMUDLF-RFNFAWMESA-N
Formula
C30H38O11
Mass
574.623
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
17-furanylsteroids and derivatives Steroid esters Naphthopyrans Naphthalenes Alpha-acyloxy ketones Pyrans Oxanes Dicarboxylic acids and derivatives Heteroaromatic compounds Furans Secondary alcohols Carboxylic acid esters Ketones Cyclic alcohols and derivatives Hemiacetals Polyols Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - Steroid ester - Naphthopyran - Naphthalene - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Oxane - Pyran - Cyclic alcohol - Furan - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Hemiacetal - Ketone - Polyol - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Organoheterocyclic compound - Oxirane - Ether - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - 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