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Ligand

NameFrangulin B
Molecular formulaC20H18O9
IUPAC name3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione
Molecular weight402.355
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.3
SynonymsFrangulin B, analytical standard
6-O-(D-Apiofuranosyl)-1,6,8-trihydroxy-3-methylanthraquinone
C10349
SCHEMBL1426453
3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione
[ Show all ]
Inchi KeyAEQMIFRODRFTJF-SLFFLAALSA-N
Inchi IDInChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1
PubChem CID442744
ChEMBLCHEMBL496999
IUPHARN/A
BindingDB50269014
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
3757P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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