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Name | CHEMBL512609 |
---|---|
Molecular formula | C21H18O12 |
IUPAC name | (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(2-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
Molecular weight | 462.363 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 7 |
XlogP | 0.8 |
Synonyms | 7-glucuronyloxy-5,6,2''-trihydroxyflavone 2',5,6-Trihydroxy-7-(beta-D-glucurono pyranosyloxy)flavone BDBM50250624 IKONNIKOSIDE I |
Inchi Key | ARCCSELFQKSKDR-ZFORQUDYSA-N |
Inchi ID | InChI=1S/C21H18O12/c22-8-4-2-1-3-7(8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 |
PubChem CID | 10183148 |
ChEMBL | CHEMBL512609 |
IUPHAR | N/A |
BindingDB | 50250624 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
12290 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
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