Structure Database (LMSD)

Common Name
(+)-artemisinic acid
Systematic Name
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid
Synonyms
  • artemisinic acid
LM ID
LMPR0103190015
Formula
C15H22O2
Exact Mass
Calculate m/z
234.16198
Status
Active
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]
Eudesmane sesquiterpenoids [PR010319]

String Representations

InChiKey (Click to copy)
PLQMEXSCSAIXGB-SAXRGWBVSA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)/t10-,12+,13+,14+/m1/s1
SMILES (Click to copy)
[C@@]12([H])[C@@]([H])([C@H](C(C(O)=O)=C)CC[C@H]1C)C=C(C)CC2

Other Databases

CHEBI ID
63749
PubChem CID
10922465
Cayman ID
25059

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 2
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 253.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.65
Molar Refractivity 68.63

Admin

Created at
-
Updated at
-