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Name | Angustibalin |
---|---|
Molecular formula | C17H20O5 |
IUPAC name | [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate |
Molecular weight | 304.342 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 2.0 |
Synonyms | cid_442142 NSC 166124 acetic acid [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester Helenalin 6-acetate [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate [ Show all ] |
Inchi Key | DCNRYQODUSSOKC-HKHYKUHTSA-N |
Inchi ID | InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1 |
PubChem CID | 442142 |
ChEMBL | CHEMBL486196 |
IUPHAR | N/A |
BindingDB | 43482 |
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 |
---|---|---|---|---|---|
56523 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
56522 | G-protein coupled receptor 55 | Q9Y2T6 | GPR55 | Homo sapiens (Human) | 319 |
56521 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
469917 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
56524 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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