Bistratamide J
AlkaPlorer ID: AK047028
Synonym: None
IUPAC Name: (4S,11S,14S,17S)-14-[(1R)-1-hydroxyethyl]-4,11,17-tri(propan-2-yl)-6,19-dithia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
Structure
SMILES: CC(C)[C@@H]1N=C(O)C2=CSC(=N2)[C@H](C(C)C)N=C(O)C2=CSC(=N2)[C@H](C(C)C)N=C(O)[C@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C25H36N6O5S2/c1-10(2)16-22(35)31-19(13(7)32)23(36)30-18(12(5)6)25-27-15(9-38-25)21(34)29-17(11(3)4)24-26-14(8-37-24)20(33)28-16/h8-13,16-19,32H,1-7H3,(H,28,33)(H,29,34)(H,30,36)(H,31,35)/t13-,16+,17+,18+,19+/m1/s1
InChIKey: QYWGBWCDPYJCGC-RUZYHRDJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lissoclinum bistratum | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 564.7340000000002
TPSA？: 176.36999999999998
MolLogP？: 5.0038000000000045
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 1.0 | ug.mL-1 | 10.1021/np0204601 |