Compound Identification
SMILES
[H]\C(CCCCCCC)=C(\[H])C12O[C@]3([H])C4([H])C5([H])OC5(CO)C([H])(O)C5(O)CC(C)=CC5([H])C4(O1)C([H])(C)C([H])(OC(=O)C(\[H])=C(/[H])C1=CC=CC=C1)[C@@]3(O2)C(C)=C
InChIKey
InChIKey=KEUMOFLVVHIGDK-VTQXMHCUSA-N
Formula
C39H50O9
Mass
662.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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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
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Rhamnofolane and daphnane diterpenoids
Alternative Parents
Cinnamic acid esters Styrenes 1,3-dioxepanes Carboxylic acid orthoesters Fatty acid esters Ortho esters 1,3-dioxanes 1,3-dioxolanes Enoate esters Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Cinnamic acid or derivatives - Cinnamic acid ester - Styrene - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Fatty acid ester - Ortho ester - Meta-dioxane - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Meta-dioxolane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Orthocarboxylic acid derivative - Secondary alcohol - Carboxylic acid ester - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxirane - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as rhamnofolane and daphnane diterpenoids. These are diterpenoids with a structure based on one the rhamnofolane or daphnane skeleton. The rhamnofolane and daphnane skeletons are closely related, being formally derived from casbane by two cyclizations (6,10 and 5,14) followed by cleavage of the 1,15 (daphnane) or 2,15 (rhamnofolane) cyclopropane bonds.
External Descriptors
CHEBI:65978 : epoxide - organic heterohexacyclic compound - cinnamate ester - bridged compound - triol - diterpenoid