Hetiamacin B; Homologue (R1 = CH2CH3, R2 = H)
AlkaPlorer ID: AK300250
Synonym: Hetiamacin D
IUPAC Name: 3-(2-ethyl-6-oxo-1,3-diazinan-4-yl)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]propanamide
Structure
SMILES: CCC1N=C(O)CC(C(O)C(O)C(O)=NC(CC(C)C)C2CC3=CC=CC(O)=C3C(=O)O2)N1
InChI: InChI=1S/C23H33N3O7/c1-4-17-24-14(10-18(28)26-17)20(29)21(30)22(31)25-13(8-11(2)3)16-9-12-6-5-7-15(27)19(12)23(32)33-16/h5-7,11,13-14,16-17,20-21,24,27,29-30H,4,8-10H2,1-3H3,(H,25,31)(H,26,28)
InChIKey: HJYLETFXUJXAHE-UHFFFAOYSA-N
Reference
Hetiamacin B–D, new members of amicoumacin group antibiotics isolated from Bacillus subtilis PJS
PubChem CID: 77844233
LOTUS: LTS0003036
COCONUT: CNP0073659.1
{NPAtlas: NPA021532
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 463.5310000000002
TPSA？: 164.20000000000002
MolLogP？: 1.621199999999999
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|