Pseudodestruxin A
AlkaPlorer ID: AK036017
Synonym: None
IUPAC Name: (3S,10S,13S,16S,19S)-16-benzyl-13-[(2S)-butan-2-yl]-11,14-dimethyl-3,10-bis(2-methylpropyl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(O)=NCCC(=O)O[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(O)=N[C@@H](CC2=CC=CC=C2)C(=O)N1C
InChI: InChI=1S/C37H57N5O7/c1-9-25(6)32-37(48)40(7)29(20-23(2)3)33(44)38-18-17-31(43)49-30(21-24(4)5)36(47)42-19-13-16-28(42)34(45)39-27(35(46)41(32)8)22-26-14-11-10-12-15-26/h10-12,14-15,23-25,27-30,32H,9,13,16-22H2,1-8H3,(H,38,44)(H,39,45)/t25-,27-,28-,29-,30-,32-/m0/s1
InChIKey: MDOMEJMFUHIERW-KZECFEFESA-N
Reference
PubChem CID: 10078314
LOTUS: LTS0210820
SuperNatural Ⅲ: SN0222726-02
NPASS: NPC92784
{NPAtlas: NPA001707
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Nigrosabulum | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Grindelia chiloensis | Grindelia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Actinoplanes philippinensis | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 683.8910000000002
TPSA？: 152.41000000000005
MolLogP？: 4.609500000000005
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Ascobolus | Ascobolus | IZ | nan | None | 10.1021/np000547r |
| Bacillus subtilis | Bacillus subtilis | IZ | 8.0 | mm | 10.1021/np000547r |
| Helicoverpa zea | Helicoverpa zea | Activity | nan | None | 10.1021/np000547r |
| Sordaria fimicola | Sordaria fimicola | IZ | nan | None | 10.1021/np000547r |