divergolide B
AlkaPlorer ID: AK050655
Synonym: 'Divergolide B'
IUPAC Name: (5E,9S,10S,11E,13R,17Z)-13-ethyl-10,23-dihydroxy-6,19-dimethyl-9-(2-methylprop-1-enyl)-8,26-dioxa-2-azatricyclo[16.6.2.021,25]hexacosa-1(24),5,11,17,19,21(25),22-heptaene-3,7,16-trione
Structure
SMILES: CC[C@H]1/C=C/[C@H](O)[C@H](C=C(C)C)OC(=O)/C(C)=C/CC(O)=NC2=CC(O)=CC3=C2O/C(=C\C(=O)CC1)C(C)=C3
InChI: InChI=1S/C31H37NO7/c1-6-21-8-10-23(33)17-27-20(5)14-22-15-24(34)16-25(30(22)38-27)32-29(36)12-7-19(4)31(37)39-28(13-18(2)3)26(35)11-9-21/h7,9,11,13-17,21,26,28,34-35H,6,8,10,12H2,1-5H3,(H,32,36)/b11-9+,19-7+,27-17-/t21-,26+,28+/m1/s1
InChIKey: GGEGLRHQJXGBSH-SHXLBUERSA-N
Source
Properties Information
Molecule Weight: 535.6370000000003
TPSA?: 125.65
MolLogP?: 6.180400000000007
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycolicibacterium vaccae | Mycolicibacterium vaccae | IZ | 12.0 | mm | 10.1016/j.ejmech.2019.01.026 |
