Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C(=O)OCC1=C[C@H]2[C@H]3OC4(C)O[C@]3(C[C@@H](C)[C@]2(O4)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1)C(C)=C
InChIKey
InChIKey=LTZBJKXHXFCKBN-JXYBWXEGSA-N
Formula
C30H34O9
Mass
538.593
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
p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Methoxyphenols Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes 1,3-dioxepanes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Carboxylic acid orthoesters Ortho esters 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Carboxylic acid esters Ketones Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Benzoic acid or derivatives - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Phenol - Alkyl aryl ether - Ortho ester - 1,3-dioxepane - 1-hydroxy-2-unsubstituted benzenoid - Dioxepane - Carboxylic acid orthoester - Benzenoid - Monocyclic benzene moiety - Meta-dioxane - Tertiary alcohol - Meta-dioxolane - Orthocarboxylic acid derivative - Ketone - Carboxylic acid ester - Ether - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic oxygen compound - 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