Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(CC(=O)OCC2=C[C@H]3[C@H]4OC5(CC6=CC=CC=C6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)=C1I

InChIKey

InChIKey=IMTPTSBICCCMPL-ZQSPPQLISA-N

Formula

C37H39IO9

Mass

754.614

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Daphnane diterpenoid - Methoxyphenol - Phenoxy compound - 3-halophenol - 3-iodophenol - Phenol ether - Methoxybenzene - Anisole - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Iodobenzene - 1,3-dioxepane - Dioxepane - Carboxylic acid orthoester - Ortho ester - Phenol - Alkyl aryl ether - Aryl iodide - Meta-dioxane - Aryl halide - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Tertiary alcohol - Orthocarboxylic acid derivative - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Organohalogen compound - Organic oxide - Carbonyl group - Organoiodide - Organooxygen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - 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

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