Psammaplin A; 5'-Bromo
AlkaPlorer ID: AK311377
Synonym: 5-Bromopsammaplin A
IUPAC Name: (2E)-3-(3-bromo-4-hydroxyphenyl)-N-[2-[2-[[(2E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
Structure
SMILES: O=C(NCCSSCCNC(=O)/C(CC1=CC(Br)=C(O)C(Br)=C1)=N\O)/C(CC1=CC=C(O)C(Br)=C1)=N\O
InChI: InChI=1S/C22H23Br3N4O6S2/c23-14-7-12(1-2-19(14)30)10-17(28-34)21(32)26-3-5-36-37-6-4-27-22(33)18(29-35)11-13-8-15(24)20(31)16(25)9-13/h1-2,7-9,30-31,34-35H,3-6,10-11H2,(H,26,32)(H,27,33)/b28-17-,29-18-
InChIKey: LGKOUMVCHLOVHD-SZVCAHDZSA-N
Reference
CAS: 612089-85-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Jaspis | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Poecillastra | Vulcanellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 743.294
TPSA？: 163.84
MolLogP？: 4.444700000000004
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|