Pseudodestruxin B
AlkaPlorer ID: AK038089
Synonym: None
IUPAC Name: (3S,10S,13S,16S,19S)-16-benzyl-11,14-dimethyl-3,10-bis(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C36H55N5O7/c1-22(2)19-28-32(43)37-17-16-30(42)48-29(20-23(3)4)35(46)41-18-12-15-27(41)33(44)38-26(21-25-13-10-9-11-14-25)34(45)40(8)31(24(5)6)36(47)39(28)7/h9-11,13-14,22-24,26-29,31H,12,15-21H2,1-8H3,(H,37,43)(H,38,44)/t26-,27-,28-,29-,31-/m0/s1
InChIKey: CNPDLOWQKDIMOD-OLAIZJASSA-N
Reference
PubChem CID: 9986956
LOTUS: LTS0201721
SuperNatural Ⅲ: SN0050697-02
NPASS: NPC98424
{NPAtlas: NPA019477
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: 669.864
TPSA？: 145.43
MolLogP？: 2.538800000000005
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 |
| Sordaria fimicola | Sordaria fimicola | IZ | nan | None | 10.1021/np000547r |