Structure Database (LMSD)
Common Name
12-hydroxyjasmonic acid
Systematic Name
{(1R,2R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetic acid
Synonyms
- (-)-12-hydroxyjasmonic acid
- (1R,2R)-12-hydroxyjasmonic acid
LM ID
LMFA02020011
Status
Active
Exact Mass
Calculate m/z
226.12051
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RZGFUGXQKMEMOO-BSANDHCLSA-N
InChi (Click to copy)
InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10-/m1/s1
SMILES (Click to copy)
C(/C=C\CCO)[C@@H]1[C@H](CCC1=O)CC(O)=O
References
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
1
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
231.04
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
1.67
Molar Refractivity
59.42
Admin
Created at
-
Updated at
-