UNPD11200
AlkaPlorer ID: AK048700
Synonym: None
IUPAC Name: N-[2-[2-[[3-(3-bromo-4,5-dihydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanamide
Structure
SMILES: O=C(NCCSSCCNC(=O)C(CC1=CC(O)=C(O)C(Br)=C1)=NO)C(CC1=CC=C(O)C(Br)=C1)=NO
InChI: InChI=1S/C22H24Br2N4O7S2/c23-14-7-12(1-2-18(14)29)9-16(27-34)21(32)25-3-5-36-37-6-4-26-22(33)17(28-35)10-13-8-15(24)20(31)19(30)11-13/h1-2,7-8,11,29-31,34-35H,3-6,9-10H2,(H,25,32)(H,26,33)
InChIKey: BOJWQLNXCSQXKS-UHFFFAOYSA-N
Reference
Psammaplin A, a chitinase inhibitor isolated from the fijian marine sponge Aplysinella rhax
PubChem CID: 162928332
LOTUS: LTS0031659
COCONUT: CNP0198121
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysinella rhax | Aplysinella | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 680.3970000000002
TPSA？: 184.07
MolLogP？: 3.3878000000000013
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|