Structure Database (LMSD)
Common Name
Elephantopinolide N
Systematic Name
Synonyms
3D model of Elephantopinolide N
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)
FVUGPYWLVLVCIM-ZBXGCGBHSA-N
InChi (Click to copy)
InChI=1S/C21H26O7/c1-6-12(2)18(22)28-17-10-14-9-15(27-20(14)24)11-21(4,25)8-7-16(17)13(3)19(23)26-5/h6-9,15-17,25H,3,10-11H2,1-2,4-5H3/b8-7+,12-6-/t15-,16+,17-,21-/m0/s1
SMILES (Click to copy)
[C@@H]12OC(=O)C(C[C@H](OC(=O)/C(/C)=C\C)[C@@H](C(=C)C(OC)=O)C=C[C@@](O)(C)C1)=C2
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
2
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
390.19
Topological Polar Surface Area
101.20
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
logP
3.02
Molar Refractivity
102.45
Admin
Created at
10th Jun 2020
Updated at
10th Jun 2020