Compound Identification
SMILES
C[C@@H]1[C@@H](OC(=O)C=CC2=CC=CC=C2)[C@@]2(O[C@]3(O[C@@H]2[C@@H]2[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C1=CC=CC=C1)C(C)=C
InChIKey
InChIKey=OTTFLYUONKAFGT-FAHDJYCPSA-N
Formula
C36H36O10
Mass
628.674
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
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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 Ortho esters Carboxylic acid orthoesters Fatty acid esters 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Enoate esters Secondary alcohols Ketones Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Hydrocarbon derivatives Organic oxides 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 - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Cyclic alcohol - Meta-dioxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Orthocarboxylic acid derivative - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Primary 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
Not available