Oscillamide B
AlkaPlorer ID: AK057595
Synonym: None
IUPAC Name: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-12-(2-methylsulfanylethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
Structure
SMILES: CSCC[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](C)N(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O
InChI: InChI=1S/C41H60N10O9S/c1-25-34(53)48-33(24-27-10-5-4-6-11-27)35(54)44-21-8-7-12-29(49-41(60)50-32(39(58)59)13-9-22-45-40(42)43)36(55)46-30(20-23-61-3)37(56)47-31(38(57)51(25)2)19-16-26-14-17-28(52)18-15-26/h4-6,10-11,14-15,17-18,25,29-33,52H,7-9,12-13,16,19-24H2,1-3H3,(H,44,54)(H,46,55)(H,47,56)(H,48,53)(H,58,59)(H4,42,43,45)(H2,49,50,60)/t25-,29+,30-,31-,32-,33-/m0/s1
InChIKey: GGWYPJGDZASPSW-APNXPRSCSA-N
Reference
PubChem CID: 10909100
LOTUS: LTS0086805
SuperNatural Ⅲ: SN0105442-02
NPASS: NPC153554
{NPAtlas: NPA012200
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Planktothrix | Microcoleaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 869.0590000000001
TPSA？: 297.27
MolLogP？: 0.3062700000000121
Number of H-Donors: 11
Number of H-Acceptors: 10
RingCount: 3
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 | Inhibition | 43.3 | % | 10.1021/np0005356 |
| None | Unchecked | Inhibition | 62.8 | % | 10.1021/np0005356 |