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
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
Methoxyphenols Phenoxy compounds Methoxybenzenes M-iodophenols Anisoles Ortho esters 1,3-dioxepanes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Iodobenzenes Carboxylic acid orthoesters 1,3-dioxanes Aryl iodides Tertiary alcohols 1,3-dioxolanes Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organoiodides
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