Compound Identification
SMILES
CCCC=CC=CC=CC(=O)OC1C(C)C23OC4(OC(C2C2OC2(CO)C(O)C2(O)C3C=C(C)C2=O)C1(O4)C(C)=C)C1=CC=CC(O)C1O
InChIKey
InChIKey=MPFCGZFQTVDCRW-UHFFFAOYSA-N
Formula
C37H44O12
Mass
680.747
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
-
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 Fatty acid esters 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Enoate esters Secondary alcohols Cyclic alcohols and derivatives Ketones Monocarboxylic acids and derivatives Dialkyl ethers Epoxides Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Daphnane diterpenoid - 1,3-dioxepane - Carboxylic acid orthoester - Dioxepane - Fatty acid ester - Ortho ester - Meta-dioxane - Fatty acyl - Meta-dioxolane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Secondary alcohol - Ketone - Orthocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Oxirane - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Primary alcohol - Aliphatic 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