Hetiamacin B; Lower homologue (R1 = CH3, R2 = H)
AlkaPlorer ID: AK300251
Synonym: Hetiamacin C
IUPAC Name: 2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-(2-methyl-6-oxo-1,3-diazinan-4-yl)propanamide
Structure
SMILES: CC(C)CC(N=C(O)C(O)C(O)C1CC(O)=NC(C)N1)C1CC2=CC=CC(O)=C2C(=O)O1
InChI: InChI=1S/C22H31N3O7/c1-10(2)7-13(16-8-12-5-4-6-15(26)18(12)22(31)32-16)25-21(30)20(29)19(28)14-9-17(27)24-11(3)23-14/h4-6,10-11,13-14,16,19-20,23,26,28-29H,7-9H2,1-3H3,(H,24,27)(H,25,30)
InChIKey: WAFFUBPVCLGDOV-UHFFFAOYSA-N
Reference
Hetiamacin B–D, new members of amicoumacin group antibiotics isolated from Bacillus subtilis PJS
PubChem CID: 77844232
LOTUS: LTS0199132
COCONUT: CNP0238837.1
{NPAtlas: NPA021531
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 449.5040000000002
TPSA？: 164.2
MolLogP？: 1.2311000000000003
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|