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@H](O)[C@@]3(O)C2)C(C)=C)=C1
InChIKey
InChIKey=HIHVAIJEPJCZCU-AQAXMNIOSA-N
Formula
C37H42O9
Mass
630.734
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 Anisoles Methoxybenzenes Phenoxy compounds 1,3-dioxepanes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Carboxylic acid orthoesters Ortho esters 1,3-dioxanes 1,3-dioxolanes Tertiary alcohols Carboxylic acid esters 1,2-diols Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1,3-dioxepane - Alkyl aryl ether - Carboxylic acid orthoester - Dioxepane - Ortho ester - Phenol - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Meta-dioxolane - Orthocarboxylic acid derivative - Carboxylic acid ester - Secondary alcohol - 1,2-diol - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Carbonyl group - 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