citral   Click here for help

GtoPdb Ligand ID: 6327

Synonyms: citral a | geranial | geranialdehyde | trans-citral
PDB Ligand
Compound class: Natural product
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 17.07
Molecular weight 152.12
XLogP 2.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=CC=C(CCC=C(C)C)C
Isomeric SMILES O=C/C=C(/CCC=C(C)C)\C
InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChI Key WTEVQBCEXWBHNA-JXMROGBWSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPV2 Rn Channel blocker Inhibition - - 5x10-4 1
Conc range: 5x10-4 M [1]
TRPV3 Mm Activator Activation 3.0 pKd - 1
pKd 3.0 (Kd 9.26x10-4 M) [1]
Voltage: -100.0 – 100.0 mV
Description: Patch clamp electrophysiology