Structure Database (LMSD)
Common Name
Elephantopinolide E
Systematic Name
Synonyms
3D model of Elephantopinolide E
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Elephantopus scaber
(#396369)
Magnoliopsida
(#3398)
Elephantopinolide A-P, germacrane-type sesquiterpene lactones from Elephantopus scaber induce apoptosis, autophagy and G2/M phase arrest in hepatocellular carcinoma cells.,
Eur J Med Chem, 2020
Eur J Med Chem, 2020
Pubmed ID:
32371334
String Representations
InChiKey (Click to copy)
DFUFHQYYQXCXKV-RZJRJGJTSA-N
InChi (Click to copy)
InChI=1S/C20H22O7/c1-4-11(3)18(22)26-16-8-12-7-13(25-19(12)23)5-10(2)6-15-17(16)14(9-21)20(24)27-15/h4,6-7,13,15-16,21H,5,8-9H2,1-3H3/b10-6+,11-4+/t13-,15-,16+/m1/s1
SMILES (Click to copy)
[C@@H]12OC(=O)C(C[C@H](OC(=O)/C(/C)=C/C)C3=C(CO)C(=O)O[C@@H]3C=C(C)C1)=C2
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
3
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
360.53
Topological Polar Surface Area
103.27
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
logP
2.81
Molar Refractivity
96.28
Admin
Created at
9th Jun 2020
Updated at
10th Jun 2020