Citrusinine II   Click here for help

GtoPdb Ligand ID: 11377

Synonyms: Citrusinine-II | compound 5 [PMID: 21277783]
Comment: Citrusinine II is a natural compound found in the tropical plant Atalantia monophylla. It inhibits TRPV3 channel activity in vitro (IC50 12.43 μM) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 91.92
Molecular weight 287.08
XLogP 3.37
No. Lipinski's rules broken 0
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Canonical SMILES COc1c(O)cc(c2c1n(C)c1c(c2=O)cccc1O)O
Isomeric SMILES COc1c(O)cc(c2c1n(C)c1c(c2=O)cccc1O)O
InChI InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
1. Han Y, Luo A, Kamau PM, Takomthong P, Hu J, Boonyarat C, Luo L, Lai R. (2021)
A plant-derived TRPV3 inhibitor suppresses pain and itch.
Br J Pharmacol, 178 (7): 1669-1683. [PMID:33501656]
2. Severino RP, Guido RV, Marques EF, Brömme D, da Silva MF, Fernandes JB, Andricopulo AD, Vieira PC. (2011)
Acridone alkaloids as potent inhibitors of cathepsin V.
Bioorg Med Chem, 19 (4): 1477-81. [PMID:21277783]