Bistramide K
AlkaPlorer ID: AK290774
Synonym: None
IUPAC Name: (6E,10E)-3,9-dihydroxy-N-[2-hydroxy-4-[3-[8-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propylamino]-3-methyl-4-oxobutyl]-4-methyldodeca-6,10-dienamide
Structure
SMILES: C/C=C/C(O)C/C=C/CC(C)C(O)CC(O)=NCC(O)C(C)C(O)=NCCCC1OC2(CCCC(CCC(C)/C=C(\C)C(C)O)O2)CCC1C
InChI: InChI=1S/C40H70N2O8/c1-8-13-33(44)15-10-9-14-28(3)35(45)25-38(47)42-26-36(46)31(6)39(48)41-23-12-17-37-29(4)20-22-40(50-37)21-11-16-34(49-40)19-18-27(2)24-30(5)32(7)43/h8-10,13,24,27-29,31-37,43-46H,11-12,14-23,25-26H2,1-7H3,(H,41,48)(H,42,47)/b10-9+,13-8+,30-24+
InChIKey: VBQUNUFYTUOFSU-BIKMVLIWSA-N
Reference
Bistramides A, B, C, D, and K: A New Class of Bioactive Cyclic Polyethers from Lissoclinum bistratum
PubChem CID: 6441266
CAS: 155660-92-7
LOTUS: LTS0002187
NPASS: NPC475503
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lissoclinum bistratum | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 707.0060000000002
TPSA？: 164.55999999999997
MolLogP？: 7.161000000000009
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | 5.6 | ug.mL-1 | 10.1021/np50112a002 |
| Homo sapiens | KB | IC50 | 10.0 | ug.mL-1 | 10.1021/np50112a002 |
| Mus musculus | B16 | IC50 | 1.9 | ug.mL-1 | 10.1021/np50112a002 |
| Mus musculus | P388 | IC50 | 0.57 | ug.mL-1 | 10.1021/np50112a002 |
| Mus musculus | P388 | IC50 | 10.0 | ug.mL-1 | 10.1021/np50112a002 |
| None | Molecular identity unknown | Activity | nan | None | 10.1021/np50112a002 |
| None | NON-PROTEIN TARGET | IC50 | 3.23 | ug.mL-1 | 10.1021/np50112a002 |
| None | NON-PROTEIN TARGET | T/C | 49.0 | % | 10.1021/np50112a002 |