Javaniside
AlkaPlorer ID: AK193519
Synonym: ''
IUPAC Name: (3S,3'S,4'R,4'aS,5'aR)-4'-ethenyl-3'-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1H-indole-3,6'-4,4a,5,5a,7,8-hexahydro-3H-pyrano[3,4-f]indolizine]-2,10'-dione
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CC[C@@]4(C(O)=NC5=CC=CC=C54)[C@H]3C[C@H]21
InChI: InChI=1S/C26H30N2O9/c1-2-12-13-9-18-26(15-5-3-4-6-16(15)27-25(26)34)7-8-28(18)22(33)14(13)11-35-23(12)37-24-21(32)20(31)19(30)17(10-29)36-24/h2-6,11-13,17-21,23-24,29-32H,1,7-10H2,(H,27,34)/t12-,13+,17-,18-,19-,20+,21-,23+,24+,26+/m1/s1
InChIKey: UXDQUMNIWFOBFX-NXTSHNLASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium javanicum | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 514.5310000000004
TPSA？: 161.51
MolLogP？: 0.0057000000000011
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 0.0 | % | 10.1021/np058013j |
| None | Unchecked | Activity | 3.0 | % | 10.1021/np058013j |
| None | Unchecked | Activity | 10.0 | % | 10.1021/np058013j |
| None | Unchecked | Activity | 16.0 | % | 10.1021/np058013j |
| None | Unchecked | Activity | 20.0 | % | 10.1021/np058013j |
| None | Unchecked | Activity | 28.0 | % | 10.1021/np058013j |
| None | Unchecked | Activity | 29.0 | % | 10.1021/np058013j |
| None | Unchecked | Activity | 35.0 | % | 10.1021/np058013j |
| None | Unchecked | Activity | 43.0 | % | 10.1021/np058013j |
| None | Unchecked | Activity | 58.0 | % | 10.1021/np058013j |