Jaspisamide A
AlkaPlorer ID: AK322572
Synonym: None
IUPAC Name: N-[(E)-11-[(24E)-14,16-dihydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-enyl]-N-methylformamide
Structure
SMILES: COC(CC1OC(=O)CC(O)CC(O)CC(=O)C(C)C(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)/C=C/CCC1C)C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC
InChI: InChI=1S/C44H62N4O13/c1-26-12-9-10-14-40-45-33(23-58-40)43-47-34(24-60-43)44-46-32(22-59-44)42(57-8)29(4)36(53)19-30(50)18-31(51)20-41(54)61-39(26)21-38(56-7)27(2)15-16-35(52)28(3)37(55-6)13-11-17-48(5)25-49/h10-11,14,17,22-31,37-39,42,50-51H,9,12-13,15-16,18-21H2,1-8H3/b14-10+,17-11+
InChIKey: ZFFIZZXYOLCUDD-JMRZXEDWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chondrosia corticata | Chondrosia | Chondrillidae | Chondrillida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 854.9949999999998
TPSA？: 226.98999999999992
MolLogP？: 6.157900000000007
Number of H-Donors: 2
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 100.0 | ug.mL-1 | 10.1016/j.bmcl.2011.04.069 |
| Aspergillus niger | Aspergillus niger | IZ | 10.0 | mm | 10.1021/np040124f |
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1016/j.bmcl.2011.04.069 |
| Candida albicans | Candida albicans | IZ | 18.0 | mm | 10.1021/np040124f |
| Candida albicans | Candida albicans | MIC | 100.0 | ug.mL-1 | 10.1016/j.bmcl.2011.04.069 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1016/j.bmcl.2011.04.069 |
| Homo sapiens | K562 | LC50 | 0.31 | ug.mL-1 | 10.1021/np040124f |
| Homo sapiens | KB | IC50 | 0.015 | ug.mL-1 | 10.1021/np50095a021 |
| Mus musculus | L1210 | IC50 | 0.001 | ug.mL-1 | 10.1021/np50095a021 |
| Proteus vulgaris | Proteus vulgaris | Activity | nan | None | 10.1016/j.bmcl.2011.04.069 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | Activity | nan | None | 10.1016/j.bmcl.2011.04.069 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1016/j.bmcl.2011.04.069 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 100.0 | ug.mL-1 | 10.1016/j.bmcl.2011.04.069 |
| Trichophyton rubrum | Trichophyton rubrum | MIC | 100.0 | ug.mL-1 | 10.1016/j.bmcl.2011.04.069 |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmcl.2011.04.069 |