Structure Database (LMSD)
Common Name
delta4-dinor-iso-OPDA
Systematic Name
6-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]-4Z-hexenoic acid
Synonyms
- Delta4-dinor-iso-12-oxo-phytodienoic acid
- delta4-dn-iso-OPDA
3D model of delta4-dinor-iso-OPDA
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KBQRTKOXXDXPKW-GLIMQPGKSA-N
InChi (Click to copy)
InChI=1S/C16H22O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3-6H,2,7-12H2,1H3,(H,18,19)/b5-3-,6-4-
SMILES (Click to copy)
C(/C=C\CCC(=O)O)C1=C(C/C=C\CC)C(=O)CC1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Marchantia polymorpha
(#3197)
Marchantiopsida
(#186770)
Ligand diversity contributes to the full activation of the jasmonate pathway in Marchantia polymorpha.,
Proc Natl Acad Sci U S A, 2022
Proc Natl Acad Sci U S A, 2022
Pubmed ID:
36037336
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
1
Aromatic Rings
Rotatable Bonds
8
Van der Waals Molecular Volume
286.17
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.81
Molar Refractivity
75.94
Admin
Created at
16th Dec 2022
Updated at
16th Dec 2022