Psammaplin A
AlkaPlorer ID: AK003012
Synonym: 'Psammaplin A', 'MLS005951917', 'Bisprasin', 'SMR004624572'
IUPAC Name: 3-(3-bromo-4-hydroxyphenyl)-N-[2-[2-[[3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
Structure
SMILES: O=C(NCCSSCCNC(=O)C(CC1=CC=C(O)C(Br)=C1)=NO)C(CC1=CC=C(O)C(Br)=C1)=NO
InChI: InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)
InChIKey: LMAFSGDNHVBIHU-UHFFFAOYSA-N
Reference
New Bromotyrosine Metabolites from the Sponge Aplysinella rhax
PubChem CID: 6711289
CAS: 110659-91-1
LOTUS: LTS0035584
COCONUT: CNP0152770
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysinella rhax | Aplysinella | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 664.3980000000001
TPSA？: 163.84
MolLogP？: 3.682200000000001
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|