8-epi-Malyngamide C
AlkaPlorer ID: AK000194
Synonym: None
IUPAC Name: (E,7S)-N-[(Z)-3-chloro-2-[(1S,5R,6S)-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]prop-2-enyl]-7-methoxytetradec-4-enamide
Structure
SMILES: CCCCCCC[C@@H](C/C=C/CCC(O)=NC/C(=C/Cl)[C@]12O[C@H]1[C@H](O)CCC2=O)OC
InChI: InChI=1S/C24H38ClNO5/c1-3-4-5-6-8-11-19(30-2)12-9-7-10-13-22(29)26-17-18(16-25)24-21(28)15-14-20(27)23(24)31-24/h7,9,16,19-20,23,27H,3-6,8,10-15,17H2,1-2H3,(H,26,29)/b9-7+,18-16-/t19-,20+,23-,24+/m0/s1
InChIKey: WXDBUBIFYCCNLE-FTWIAXFRSA-N
Reference
PubChem CID: 45379966
LOTUS: LTS0131193
SuperNatural Ⅲ: SN0422378-01
NPASS: NPC280498
{NPAtlas: NPA000789
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya majuscula | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| None | Cyanobacterium | Geminocystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 456.02300000000025
TPSA？: 91.65000000000002
MolLogP？: 5.029000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | 15400.0 | nM | 10.1021/np900614n |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np900614n |
| None | Unchecked | Activity | nan | None | 10.1021/np900614n |