MT-8   Click here for help

GtoPdb Ligand ID: 11857

Synonyms: 3'-hydroxybiochanin A | MT8 | pratensein
Compound class: Synthetic organic
Comment: MT-8 (pratensein) is a plant-derived isoflavone compound that can be isolated from Kaempferia parviflora (Thai ginseng). It has been demonstrated to act as an inhibitor of TPC2 channels [1]. Blocking TPC2 in vitro increases melanin production in melanosomes, and inhibits proliferation, migration and invasion of melanoma cells.
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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 2
Topological polar surface area 100.13
Molecular weight 300.06
XLogP 2.98
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1O)c1coc2c(c1=O)c(O)cc(c2)O
Isomeric SMILES COc1c(O)cc(cc1)c1coc2c(c(O)cc(O)c2)c1=O
InChI InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
3'-hydroxybiochanin A | MT8 | pratensein
Database Links Click here for help
CAS Registry No. 2284-31-3 (source: PubChem)
ChEMBL Ligand CHEMBL252904
GtoPdb PubChem SID 461663413
PubChem CID 5281803
Search Google for chemical match using the InChIKey FPIOBTBNRZPWJW-UHFFFAOYSA-N
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