Compound Identification
SMILES
CC1(C)CCC(O)C23COC(O)(C(O)C12)C12C(OC(=O)C4=CC=CC=C4)C(CCC31)C(=C)C2=O
InChIKey
InChIKey=DWISOLDFCILETQ-UHFFFAOYSA-N
Formula
C27H32O7
Mass
468.546
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Diterpenoids
- Level 5 Kaurane diterpenoids
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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
Kaurane diterpenoids
Alternative Parents
Benzoic acid esters Benzoyl derivatives Oxanes Secondary alcohols Ketones Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Kaurane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Oxane - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Hemiacetal - Ketone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.
External Descriptors
Not available