AI-77-B
AlkaPlorer ID: AK030009
Synonym: '77674-99-8'
IUPAC Name: (3R,4R,5R)-3-amino-4,5-dihydroxy-6-[[(1S)-1-[(3R)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-6-oxohexanoic acid
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@H](O)[C@H](O)[C@H](N)CC(=O)O)[C@H]1CC2=CC=CC(O)=C2C(=O)O1
InChI: InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12+,14-,17-,18-/m1/s1
InChIKey: LOXFXXGTOVWWQV-YPXRGCATSA-N
Reference
Antibiotics from strains of Bacillus pumilus isolated from a marine sponge Dendrilla sp.
PubChem CID: 163029739
LOTUS: LTS0086326
SuperNatural Ⅲ: SN0211451-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus pumilus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 424.45000000000016
TPSA？: 182.9
MolLogP？: 0.3687000000000005
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|