Jaspamide D
AlkaPlorer ID: AK038584
Synonym: None
IUPAC Name: (4R,7R,10R,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-10-ethyl-4-(4-hydroxyphenyl)-8,13,15,17,19-pentamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Structure
SMILES: CC[C@H]1N=C(O)[C@@H](C)C/C(C)=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](C2=CC=C(O)C=C2)N=C(O)[C@@H](CC2=C(Br)NC3=CC=CC=C23)N(C)C1=O
InChI: InChI=1S/C37H47BrN4O6/c1-7-29-37(47)42(6)32(19-28-27-10-8-9-11-30(27)39-34(28)38)36(46)41-31(25-12-14-26(43)15-13-25)20-33(44)48-24(5)18-22(3)16-21(2)17-23(4)35(45)40-29/h8-16,22-24,29,31-32,39,43H,7,17-20H2,1-6H3,(H,40,45)(H,41,46)/b21-16+/t22-,23-,24-,29+,31+,32+/m0/s1
InChIKey: WZBSTYSFQCNXMX-MABIMZPOSA-N
Reference
New jaspamide derivatives with antimicrofilament activity from the sponge Jaspis splendans
PubChem CID: 23584683
LOTUS: LTS0222622
NPASS: NPC34580
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jaspis splendens | Jaspis | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 723.7090000000002
TPSA？: 147.81
MolLogP？: 7.772500000000011
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 4.4 | nM | 10.1021/np200714m |
| Homo sapiens | KB | Inhibition | 100.0 | % | 10.1021/np200714m |