Hamacanthin B; (S)-form
AlkaPlorer ID: AK299963
Synonym: None
IUPAC Name: 3,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
Structure
SMILES: O=C1NCC(C2=CNC3=C2C=CC(Br)=C3)N=C1C1=CNC2=C1C=CC(Br)=C2
InChI: InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,25,27)
InChIKey: MYXLDFYXMNSXDR-UHFFFAOYSA-N
Reference
PubChem CID: 460040
CAS: 160098-93-1
LOTUS: LTS0061470
NPASS: NPC319211
COCONUT: CNP0198036.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hamacantha | Hamacanthidae | Merliida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 486.1670000000001
TPSA？: 73.03999999999999
MolLogP？: 4.834400000000002
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|