Structure Database (LMSD)
Common Name
Elephantopinolide F
Systematic Name
Synonyms
3D model of Elephantopinolide F
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)
HVTBNYMRHSJGHK-ZYPOIOKMSA-N
InChi (Click to copy)
InChI=1S/C19H22O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,11,13-16H,1,5,8H2,2-4H3/b10-6+/t11-,13+,14+,15-,16?/m0/s1
SMILES (Click to copy)
[C@@H]12OC(=O)C(C[C@H](OC(=O)C(C)=C)C3[C@H](C)C(=O)O[C@@H]3C=C(C)C1)=C2
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
337.08
Topological Polar Surface Area
83.04
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
logP
3.10
Molar Refractivity
89.72
Admin
Created at
9th Jun 2020
Updated at
10th Jun 2020