UNPD79389
AlkaPlorer ID: AK048714
Synonym: None
IUPAC Name: 3-(3-bromo-4,5-dihydroxyphenyl)-N-[2-[2-[[3-(3-bromo-4,5-dihydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
Structure
SMILES: O=C(NCCSSCCNC(=O)C(CC1=CC(O)=C(O)C(Br)=C1)=NO)C(CC1=CC(O)=C(O)C(Br)=C1)=NO
InChI: InChI=1S/C22H24Br2N4O8S2/c23-13-5-11(9-17(29)19(13)31)7-15(27-35)21(33)25-1-3-37-38-4-2-26-22(34)16(28-36)8-12-6-14(24)20(32)18(30)10-12/h5-6,9-10,29-32,35-36H,1-4,7-8H2,(H,25,33)(H,26,34)
InChIKey: CGNRCABPHYMFNH-UHFFFAOYSA-N
Reference
Psammaplin A, a chitinase inhibitor isolated from the fijian marine sponge Aplysinella rhax
PubChem CID: 163038626
LOTUS: LTS0167430
COCONUT: CNP0318918
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysinella rhax | Aplysinella | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 696.3960000000002
TPSA？: 204.3
MolLogP？: 3.0934000000000017
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|