Pentaminomycin A
AlkaPlorer ID: AK047264
Synonym: None
IUPAC Name: 1-hydroxy-1-[3-[(2S,5R,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-5-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8,11-di(propan-2-yl)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
Structure
SMILES: CC(C)C[C@H]1N=C(O)[C@H](CCCN(O)C(=N)N)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H](C(C)C)N=C(O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C33H51N9O6/c1-17(2)14-24-30(45)40-27(19(5)6)32(47)41-26(18(3)4)31(46)39-25(15-20-16-36-22-11-8-7-10-21(20)22)29(44)37-23(28(43)38-24)12-9-13-42(48)33(34)35/h7-8,10-11,16-19,23-27,36,48H,9,12-15H2,1-6H3,(H3,34,35)(H,37,44)(H,38,43)(H,39,46)(H,40,45)(H,41,47)/t23-,24+,25-,26+,27-/m0/s1
InChIKey: UMAAYOBTEPKWOX-HYFAGJRRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 669.828
TPSA？: 252.0799999999999
MolLogP？: 5.072470000000005
Number of H-Donors: 9
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Activity | None | None | 10.1021/acs.jnatprod.7b00882 |
| Mus musculus | 4T1 | Activity | None | None | 10.1021/acs.jnatprod.7b00882 |
| Mus musculus | B16-F0 | Activity | None | None | 10.1021/acs.jnatprod.7b00882 |
| Mus musculus | B16-F10 | Activity | None | None | 10.1021/acs.jnatprod.7b00882 |
| Mus musculus | B16-F10 | Inhibition | None | % | 10.1021/acs.jnatprod.7b00882 |