(2S,4S,5R,6S,7R)-4,5,6-trihydroxy-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),11,16-trien-9-one
AlkaPlorer ID: AK019197
Synonym: None
IUPAC Name: (2S,3R,4S,4aR,11bS)-2,3,4-trihydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Structure
SMILES: OC1=N[C@H]2[C@H](O)[C@H](O)[C@@H](O)C[C@H]2C2=CC3=C(C=C12)OCO3
InChI: InChI=1S/C14H15NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h2-3,6,8,11-13,16-18H,1,4H2,(H,15,19)/t6-,8-,11+,12+,13-/m0/s1
InChIKey: KKAHUDOWKGIGAA-NWZHCISOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 293.27500000000003
TPSA？: 111.74000000000002
MolLogP？: -0.3279000000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| dengue virus type 4 | dengue virus type 4 | IC50 | 4.4 | ug.mL-1 | 10.1021/np50089a003 |
| Japanese encephalitis virus | Japanese encephalitis virus | IC50 | 12.7 | ug.mL-1 | 10.1021/np50089a003 |
| Punta Toro virus | Punta Toro virus | IC50 | 14.0 | ug.mL-1 | 10.1021/np50089a003 |
| Rift Valley fever virus | Rift Valley fever virus | IC50 | nan | None | 10.1021/np50089a003 |
| Sandfly fever Sicilian virus | Sandfly fever Sicilian virus | IC50 | 25.0 | ug.mL-1 | 10.1021/np50089a003 |
| Yellow fever virus | Yellow fever virus | IC50 | 9.6 | ug.mL-1 | 10.1021/np50089a003 |
| None | ADMET | TI | 3.0 | None | 10.1021/np50089a003 |
| None | ADMET | TI | 4.8 | None | 10.1021/np50089a003 |
| None | ADMET | TI | 4.9 | None | 10.1021/np50089a003 |
| None | ADMET | TI | 5.7 | None | 10.1021/np50089a003 |
| None | ADMET | TI | 6.6 | None | 10.1021/np50089a003 |