Compound Identification
SMILES
CC1C(O)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)C1=CC=CC=C1)C(C)=C
InChIKey
InChIKey=ATCCMDINGQUBOE-UHFFFAOYSA-N
Formula
C27H30O9
Mass
498.528
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
-
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
1,3-dioxepanes Ortho esters Carboxylic acid orthoesters 1,3-dioxanes Benzene and substituted derivatives Tertiary alcohols 1,3-dioxolanes Secondary alcohols Ketones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Ortho ester - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Ketone - Orthocarboxylic acid derivative - Polyol - Ether - Oxirane - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Primary alcohol - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organooxygen compound - 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