170891-48-2
AlkaPlorer ID: AK017009
Synonym: '219783-00-3'
IUPAC Name: (4S)-6,7-dibromo-4-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
Structure
SMILES: O=C1NC[C@H](O)N2C1=CC(Br)=C2Br
InChI: InChI=1S/C7H6Br2N2O2/c8-3-1-4-7(13)10-2-5(12)11(4)6(3)9/h1,5,12H,2H2,(H,10,13)/t5-/m0/s1
InChIKey: NUVAABCZBKHWMX-YFKPBYRVSA-N
Reference
Agelastatin E, Agelastatin F, and Benzosceptrin C from the Marine Sponge <i>Agelas dendromorpha</i>
PubChem CID: 10448074
LOTUS: LTS0080170
SuperNatural Ⅲ: SN0255848-02
NPASS: NPC11380
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia constricta | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lichina pygmaea | Lichina | Lichinaceae | Lichinales | Lichinomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 309.94499999999994
TPSA？: 54.26
MolLogP？: 1.2473999999999998
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|