Compound Identification
SMILES
COC1=CC=CC=C1C(=O)O[C@H]1CC2[C@@](C)(COC(C)=O)[C@@H](CC[C@@]2(C)[C@@H]2CC[C@H]3C[C@]12CC3=C)OC(=O)C1=CC=CC=C1OC
InChIKey
InChIKey=ISYAFHCSWJXENP-QYFXYHFTSA-N
Formula
C38H46O8
Mass
630.778
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
Steroids and steroid derivatives O-methoxybenzoic acids and derivatives Benzoic acid esters Tricarboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Kaurane diterpenoid - Steroid - O-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Anisole - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Ether - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic 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