Divergolide A
AlkaPlorer ID: AK041854
Synonym: 'Divergolide A'
IUPAC Name: (1S,4R,5E,7S,10Z,20S,21S)-4-ethyl-17-hydroxy-7-[(1S)-1-hydroxy-3-methylbut-2-enyl]-10,21-dimethyl-8,24,26-trioxa-14-azatetracyclo[13.8.2.11,20.019,25]hexacosa-5,10,15,17,19(25)-pentaene-9,13,22-trione
Structure
SMILES: CC[C@H]1/C=C/[C@@H]([C@@H](O)C=C(C)C)OC(=O)/C(C)=C\CC(O)=NC2=CC(O)=CC3=C2O[C@@]2(CC1)CC(=O)[C@@H](C)[C@@H]3O2
InChI: InChI=1S/C31H39NO8/c1-6-20-8-9-26(24(34)13-17(2)3)38-30(37)18(4)7-10-27(36)32-23-15-21(33)14-22-28-19(5)25(35)16-31(39-28,12-11-20)40-29(22)23/h7-9,13-15,19-20,24,26,28,33-34H,6,10-12,16H2,1-5H3,(H,32,36)/b9-8+,18-7-/t19-,20+,24+,26+,28+,31+/m1/s1
InChIKey: NXQKNJIQGBLGMU-XVYITHGISA-N
Source
Properties Information
Molecule Weight: 553.6520000000004
TPSA?: 134.88
MolLogP?: 5.687000000000007
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycolicibacterium vaccae | Mycolicibacterium vaccae | IZ | 19.0 | mm | 10.1016/j.ejmech.2019.01.026 |
