Jasplakinolide
AlkaPlorer ID: AK303245
Synonym: Jaspamide, NSC 613009
IUPAC Name: 7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Structure
SMILES: CC1=CC(C)CC(C)OC(=O)CC(C2=CC=C(O)C=C2)N=C(O)C(CC2=C(Br)NC3=CC=CC=C23)N(C)C(=O)C(C)N=C(O)C(C)C1
InChI: InChI=1S/C36H45BrN4O6/c1-20-15-21(2)17-23(4)47-32(43)19-30(25-11-13-26(42)14-12-25)40-35(45)31(18-28-27-9-7-8-10-29(27)39-33(28)37)41(6)36(46)24(5)38-34(44)22(3)16-20/h7-15,21-24,30-31,39,42H,16-19H2,1-6H3,(H,38,44)(H,40,45)
InChIKey: GQWYWHOHRVVHAP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Auletta | Bubaridae | Bubarida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Jaspis splendens | Jaspis | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 709.6819999999999
TPSA？: 147.81
MolLogP？: 7.382400000000008
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 | Alpha-synuclein | Potency | 22387.2 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 15.0 | nM | None |
| Homo sapiens | DNA polymerase eta | Potency | 50118.7 | nM | None |
| Homo sapiens | Geminin | Potency | 115.8 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 891.3 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 3162.3 | nM | None |
| Homo sapiens | Heat shock protein HSP 90-alpha | AC50 | 4094.0 | nM | None |
| Homo sapiens | HEK293 | Potency | 398.1 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 1299.5 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 259.3 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 4109.5 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 10322.5 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 15848.9 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 580.5 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 1458.1 | nM | None |
| Homo sapiens | Paired box protein Pax-8 | AC50 | 260.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 14.6 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 25.9 | nM | None |
| Plasmodium falciparum 3D7 | HSP90 | AC50 | 5199.0 | nM | None |
| None | Unchecked | Potency | 51.7 | nM | None |
| None | Unchecked | Potency | 316.2 | nM | None |
| None | Unchecked | Potency | 410.9 | nM | None |
| None | Unchecked | Potency | 562.3 | nM | None |
| None | Unchecked | Potency | 580.5 | nM | None |
| None | Unchecked | Potency | 1835.6 | nM | None |
| None | Unchecked | Potency | 31622.8 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |