Compound Identification
SMILES
COC1=C(OCCNC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)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)=C1
InChIKey
InChIKey=NETROCLNSMREJP-CJXDUCTISA-N
Formula
C54H55NO11
Mass
894.03
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
Fluorenes Phenoxy compounds Methoxybenzenes Anisoles Ortho esters 1,3-dioxepanes Carboxylic acid orthoesters Alkyl aryl ethers 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Carbamate esters Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Fluorene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1,3-dioxepane - Alkyl aryl ether - Dioxepane - Carboxylic acid orthoester - Ortho ester - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Carbamic acid ester - Tertiary alcohol - Ketone - Orthocarboxylic acid derivative - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen 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