Structure Database (LMSD)

Common Name
Elephantopinolide K
Systematic Name
Synonyms
LM ID
LMPR0103090028
Formula
C15H18O7
Exact Mass
Calculate m/z
310.105255
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Germacrane sesquiterpenoids [PR010309]

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
Pubmed ID: 32371334

String Representations

InChiKey (Click to copy)
FIUKLWDETUQLTL-WQPNVZCNSA-N
InChi (Click to copy)
InChI=1S/C15H18O7/c1-15-5-7-3-6(13(17)20-7)4-8(16)9-10(12(15)22-15)21-14(18)11(9)19-2/h3,7-12,16H,4-5H2,1-2H3/t7-,8-,9+,10-,11-,12-,15+/m0/s1
SMILES (Click to copy)
[C@@H]12OC(=O)C(C[C@H](O)[C@H]3[C@H](OC)C(=O)O[C@@H]3[C@@H]3O[C@]3(C)C1)=C2

Other Databases

PubChem CID
171120131

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 272.23
Topological Polar Surface Area 98.73
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 1.43
Molar Refractivity 73.72

Admin

Created at
9th Jun 2020
Updated at
10th Jun 2020