Compound Identification
SMILES
CC[C@@]12CC[C@]3(C)C(CCC3(C)C1CCC1C2CC[C@H](OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C1(C)C)C(C)CCC=C(C)C
InChIKey
InChIKey=QVZGAIWUSYVGBJ-HJSCNZPOSA-N
Formula
C41H62O4
Mass
618.943
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cucurbitacins
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Cucurbitacins
Intermediate Tree Nodes
Not available
Direct Parent
Cucurbitacins
Alternative Parents
Triterpenoids Steroid esters Coumaric acids and derivatives Cinnamic acid esters Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Enoate esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - Steroid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Styrene - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.
External Descriptors
Not available