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Name | Machaerogenin |
---|---|
Molecular formula | C30H46O4 |
IUPAC name | (1R,4S,5R,10S,13R,18S,20S,21S)-10-hydroxy-20-(hydroxymethyl)-4,5,9,9,13,20-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-23-one |
Molecular weight | 470.694 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 5.7 |
Synonyms | CHEMBL1710708 BDBM80033 cid_23641104 MLS000563519 HMS2269C16 [ Show all ] |
Inchi Key | CHTCCKSXBYVSBJ-IQQHCVDNSA-N |
Inchi ID | InChI=1S/C30H46O4/c1-25(2)20-9-12-29(6)21(27(20,4)11-10-22(25)32)8-7-18-19-15-26(3,17-31)23-16-30(19,24(33)34-23)14-13-28(18,29)5/h7,19-23,31-32H,8-17H2,1-6H3/t19-,20?,21?,22-,23-,26-,27-,28+,29+,30+/m0/s1 |
PubChem CID | 23641104 |
ChEMBL | CHEMBL1710708 |
IUPHAR | N/A |
BindingDB | 80033 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
42276 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
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