Bactobolin D
AlkaPlorer ID: AK071508
Synonym: None
IUPAC Name: (2S)-N-[(2S)-1-[[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-1-oxopropan-2-yl]-2-aminopropanamide
Structure
SMILES: C[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H]1[C@@H]2C[C@H](O)CC(O)=C2C(=O)O[C@]1(C)C(Cl)Cl
InChI: InChI=1S/C17H25Cl2N3O6/c1-6(20)13(25)21-7(2)14(26)22-12-9-4-8(23)5-10(24)11(9)15(27)28-17(12,3)16(18)19/h6-9,12,16,23-24H,4-5,20H2,1-3H3,(H,21,25)(H,22,26)/t6-,7-,8-,9+,12+,17-/m0/s1
InChIKey: KHGMZWVYYCQZEC-AVMQSFCVSA-N
Reference
Quorum-Sensing-Regulated Bactobolin Production by <i>Burkholderia thailandensis</i> E264
PubChem CID: 54751361
LOTUS: LTS0224087
SuperNatural Ⅲ: SN0185585-01
{NPAtlas: NPA012633
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Burkholderia thailandensis | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 438.3080000000001
TPSA？: 157.95999999999998
MolLogP？: 1.7058999999999995
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|