None
AlkaPlorer ID: AK323619
Synonym: None
IUPAC Name: (2R)-2-[(3R,9E,14S,15S)-7,14-dimethyl-11-methylidene-15-[(2R)-14-methylpentadecan-2-yl]-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)CCCCCCCCCCCC(C)C)[C@H](C)C(O)=N1
InChI: InChI=1S/C32H54N4O7/c1-21(2)16-14-12-10-8-7-9-11-13-15-17-22(3)29-24(5)31(41)34-23(4)18-19-26(38)36(6)20-25(37)35-27(32(42)43-29)28(39)30(33)40/h18-19,21-22,24,27-29,39H,4,7-17,20H2,1-3,5-6H3,(H2,33,40)(H,34,41)(H,35,37)/b19-18+/t22-,24+,27-,28-,29+/m1/s1
InChIKey: NODOLTRBPIFGCQ-ISYZNHOISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Micromonospora sp. | Micromonospora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 606.8050000000005
TPSA？: 176.10000000000002
MolLogP？: 5.837170000000005
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 | 12.8 | None | 10.1021/np500276c |
| Homo sapiens | PANC-1 | Ratio IC50 | 6.3 | None | 10.1021/np500276c |
| None | NON-PROTEIN TARGET | IC50 | 300.0 | nM | 10.1021/np500276c |
| None | NON-PROTEIN TARGET | IC50 | 370.0 | nM | 10.1021/np500276c |
| None | NON-PROTEIN TARGET | IC50 | 2300.0 | nM | 10.1021/np500276c |
| None | NON-PROTEIN TARGET | IC50 | 3900.0 | nM | 10.1021/np500276c |