Structure Database (LMSD)

O O O O O O
Common Name
Elephantopinolide F
Systematic Name
Synonyms
LM ID
LMPR0103090023
Formula
C19H22O6
Exact Mass
Calculate m/z
346.14164
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

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

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

Other Databases

PubChem CID
171120130

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