Iturin A-8
AlkaPlorer ID: AK032790
Synonym: None
IUPAC Name: 3-[(3S,6R,9R,12S,16R,19S,22R,25S)-6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyltridecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
Structure
SMILES: CCC(C)CCCCCCCCCC[C@@H]1CC(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](CC2=CC=C(O)C=C2)C(O)=N[C@H](CC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(=O)N2CCC[C@H]2C(O)=N[C@H](CC(=N)O)C(O)=N[C@@H](CO)C(O)=N1
InChI: InChI=1S/C51H80N12O14/c1-3-29(2)13-10-8-6-4-5-7-9-11-14-31-24-44(70)57-35(25-41(53)67)46(72)59-34(23-30-16-18-32(65)19-17-30)45(71)60-36(26-42(54)68)47(73)58-33(20-21-40(52)66)51(77)63-22-12-15-39(63)50(76)61-37(27-43(55)69)48(74)62-38(28-64)49(75)56-31/h16-19,29,31,33-39,64-65H,3-15,20-28H2,1-2H3,(H2,52,66)(H2,53,67)(H2,54,68)(H2,55,69)(H,56,75)(H,57,70)(H,58,73)(H,59,72)(H,60,71)(H,61,76)(H,62,74)/t29?,31-,33+,34-,35+,36-,37-,38+,39+/m1/s1
InChIKey: SYWSRNVDWIDEAD-KVGPBQSJSA-N
Reference
Mulberry anthracnose antagonists (iturins) produced by Bacillus amyloliquefaciens RC-2
PubChem CID: 10866068
LOTUS: LTS0083906
{NPAtlas: NPA013888
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus amyloliquefaciens | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1085.2709999999995
TPSA？: 465.22000000000014
MolLogP？: 7.6360800000000095
Number of H-Donors: 17
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|