5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹?.0?,?]nonadeca-2,4(8),9,16-tetraene-11,15,18-triol
AlkaPlorer ID: AK150290
Synonym: None
IUPAC Name: (1R,13S,15S,18S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,15,18-triol
Structure
SMILES: OC1C2=CC3=C(C=C2[C@]24C=C[C@@H](O)C[C@@H]2N1C[C@H]4O)OCO3
InChI: InChI=1S/C16H17NO5/c18-8-1-2-16-10-5-12-11(21-7-22-12)4-9(10)15(20)17(6-14(16)19)13(16)3-8/h1-2,4-5,8,13-15,18-20H,3,6-7H2/t8-,13+,14-,15?,16-/m1/s1
InChIKey: RBDSXRNUXSBSRU-QJFMRHECSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crinum yemense | Crinum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 303.3140000000001
TPSA？: 82.39000000000001
MolLogP？: 0.0234999999999996
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | Activity | 97.3 | % | 10.1021/np030529k |
| None | ADMET | Activity | 102.7 | % | 10.1021/np030529k |
| None | ADMET | Activity | 103.2 | % | 10.1021/np030529k |
| None | ADMET | Activity | 112.8 | % | 10.1021/np030529k |
| None | ADMET | Activity | 116.6 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 0.5 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 1.6 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 9.7 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 18.3 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 31.3 | % | 10.1021/np030529k |