(2S,4S,5R,6S,7R)-4,5,6,11-tetrahydroxy-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),11,16-trien-9-one
AlkaPlorer ID: AK022934
Synonym: None
IUPAC Name: (2S,3R,4S,4aR,11bS)-2,3,4,7-tetrahydroxy-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=C1C(O)=C1OCOC1=C2
InChI: InChI=1S/C14H15NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h2,5-6,9-10,12,16-19H,1,3H2,(H,15,20)/t5-,6-,9+,10+,12-/m0/s1
InChIKey: SBTGHBALOCEVOR-GUHAZCHASA-N
Reference
Antineoplastic Agents, 162. Zephyranthes candida
PubChem CID: 3000372
LOTUS: LTS0010113
SuperNatural Ⅲ: SN0341178-03
NPASS: NPC110374
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zephyranthes candida | Zephyranthes | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | None | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 309.27400000000006
TPSA？: 131.97000000000003
MolLogP？: -0.6223000000000003
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| dengue virus type 4 | dengue virus type 4 | IC50 | 2.5 | ug.mL-1 | 10.1021/np50089a003 |
| Japanese encephalitis virus | Japanese encephalitis virus | IC50 | 0.96 | ug.mL-1 | 10.1021/np50089a003 |
| Mus musculus | P388 | ED50 | 0.024 | ug ml-1 | 10.1021/np50067a026 |
| Punta Toro virus | Punta Toro virus | IC50 | 2.2 | ug.mL-1 | 10.1021/np50089a003 |
| Rift Valley fever virus | Rift Valley fever virus | IC50 | 1.4 | ug.mL-1 | 10.1021/np50089a003 |
| Sandfly fever Sicilian virus | Sandfly fever Sicilian virus | Inhibition | 25.0 | % | 10.1021/np50089a003 |
| Yellow fever virus | Yellow fever virus | IC50 | 1.3 | ug.mL-1 | 10.1021/np50089a003 |
| None | ADMET | TI | 2.0 | None | 10.1021/np50089a003 |
| None | ADMET | TI | 3.6 | None | 10.1021/np50089a003 |
| None | ADMET | TI | 3.9 | None | 10.1021/np50089a003 |
| None | ADMET | TI | 5.1 | None | 10.1021/np50089a003 |