Compound Identification
SMILES
C[C@@H]1CC2(OC3(CC4=CC=CC=C4)OC2C2C=C(COC(=O)CC4=CC=C(O)C=C4)C[C@@]4(O)C(C=C(C)C4=O)C12O3)C(C)=C
InChIKey
InChIKey=WWZMXEIBZCEIFB-JLNQTMMISA-N
Formula
C36H38O8
Mass
598.692
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
Ortho esters Carboxylic acid orthoesters 1-hydroxy-2-unsubstituted benzenoids 1,3-dioxepanes Benzene and substituted derivatives 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - 1-hydroxy-2-unsubstituted benzenoid - 1,3-dioxepane - Phenol - Ortho ester - Carboxylic acid orthoester - Dioxepane - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Tertiary alcohol - Carboxylic acid ester - Orthocarboxylic acid derivative - Ketone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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
Not available