Oscillamide C
AlkaPlorer ID: AK056293
Synonym: None
IUPAC Name: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-12-[(2S)-butan-2-yl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
Structure
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O
InChI: InChI=1S/C49H68N10O10/c1-4-30(2)41-45(65)54-37(25-19-31-15-21-34(60)22-16-31)46(66)59(3)40(26-20-32-17-23-35(61)24-18-32)44(64)55-39(29-33-11-6-5-7-12-33)42(62)52-27-9-8-13-36(43(63)58-41)56-49(69)57-38(47(67)68)14-10-28-53-48(50)51/h5-7,11-12,15-18,21-24,30,36-41,60-61H,4,8-10,13-14,19-20,25-29H2,1-3H3,(H,52,62)(H,54,65)(H,55,64)(H,58,63)(H,67,68)(H4,50,51,53)(H2,56,57,69)/t30-,36+,37-,38-,39-,40-,41-/m0/s1
InChIKey: TTWROJJNRKDVPJ-FVCPQTOGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Planktothrix | Microcoleaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 957.143
TPSA？: 317.5
MolLogP？: 1.917770000000012
Number of H-Donors: 12
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dual specificity phosphatase Cdc25B | Activity | nan | None | 10.1021/np0005356 |
| Homo sapiens | Dual specificity protein phosphatase 3 | Activity | nan | None | 10.1021/np0005356 |
| None | Unchecked | Activity | nan | None | 10.1021/np0005356 |
| None | Unchecked | IC50 | 900.0 | nM | 10.1021/np0005356 |
| None | Unchecked | IC50 | 1330.0 | nM | 10.1021/np0005356 |
| None | Unchecked | Inhibition | 97.3 | % | 10.1021/np0005356 |
| None | Unchecked | Inhibition | 98.4 | % | 10.1021/np0005356 |