None
AlkaPlorer ID: AK323621
Synonym: None
IUPAC Name: (2R)-2-[(3R,9E,14S,15S)-7,14-dimethyl-15-[(2R)-16-methylheptadecan-2-yl]-11-methylidene-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide
Structure
SMILES: C=C1/C=C/C(=O)N(C)CC(O)=N[C@H]([C@@H](O)C(=N)O)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCCCC(C)C)[C@H](C)C(O)=N1
InChI: InChI=1S/C34H58N4O7/c1-23(2)18-16-14-12-10-8-7-9-11-13-15-17-19-24(3)31-26(5)33(43)36-25(4)20-21-28(40)38(6)22-27(39)37-29(34(44)45-31)30(41)32(35)42/h20-21,23-24,26,29-31,41H,4,7-19,22H2,1-3,5-6H3,(H2,35,42)(H,36,43)(H,37,39)/b21-20+/t24-,26+,29-,30-,31+/m1/s1
InChIKey: OHJKKDVOBIAZKO-WCYRXYQPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Micromonospora sp. | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 634.8590000000005
TPSA？: 176.10000000000002
MolLogP？: 6.617370000000006
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-8 | Ratio IC50 | 5.2 | None | 10.1021/np500276c |
| Homo sapiens | PANC-1 | Ratio IC50 | 3.8 | None | 10.1021/np500276c |
| None | NON-PROTEIN TARGET | IC50 | 1800.0 | nM | 10.1021/np500276c |
| None | NON-PROTEIN TARGET | IC50 | 4700.0 | nM | 10.1021/np500276c |
| None | NON-PROTEIN TARGET | IC50 | 9400.0 | nM | 10.1021/np500276c |
| None | NON-PROTEIN TARGET | IC50 | 17900.0 | nM | 10.1021/np500276c |