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Name | Vermixocin B |
---|---|
Molecular formula | C23H26O7 |
IUPAC name | [(1S)-1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate |
Molecular weight | 414.454 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | Purpactin A BDBM50281511 1'-O-acetylpenicillide CHEMBL116226 Acetic acid (S)-1-(11-hydroxy-4-methoxy-9-methyl-5-oxo-5H,7H-6,12-dioxa-dibenzo[a,d]cycloocten-3-yl)-3-methyl-butyl ester [ Show all ] |
Inchi Key | NUYFKDBCHFKOBT-IBGZPJMESA-N |
Inchi ID | InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1 |
PubChem CID | 10341722 |
ChEMBL | CHEMBL116226 |
IUPHAR | N/A |
BindingDB | 50281511 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
232771 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
232770 | Vasopressin V2 receptor | P32307 | AVPR2 | Sus scrofa (Pig) | 370 |
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