(3S-cis)-Hexahydro-3-[(3,4-dihydroxyphenyl)methyl]pyrrolo[1,2-a]pyrazine-1,4-dione
AlkaPlorer ID: AK003452
Synonym: 'cis-(3S,8aS)-3-(3,4-dihydroxybenzyl)hexahydropyrrolo1,2-apyrazine-1,4-dione', 'JS-3'
IUPAC Name: (8aS)-3-[(3,4-dihydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Structure
SMILES: O=C1C(CC2=CC=C(O)C(O)=C2)N=C(O)[C@@H]2CCCN12
InChI: InChI=1S/C14H16N2O4/c17-11-4-3-8(7-12(11)18)6-9-14(20)16-5-1-2-10(16)13(19)15-9/h3-4,7,9-10,17-18H,1-2,5-6H2,(H,15,19)/t9?,10-/m0/s1
InChIKey: QSFBICASXGBTSB-AXDSSHIGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 276.29200000000003
TPSA？: 93.36
MolLogP？: 0.97
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|