psammaplysin K
AlkaPlorer ID: AK112130
Synonym: None
IUPAC Name: (4S,5S)-7,9-dibromo-N-[3-(2,6-dibromo-4-formylphenoxy)propyl]-4-hydroxy-8-methoxy-1,11-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide
Structure
SMILES: COC1=C(Br)C[C@]2(OC=C1Br)ON=C(C(=O)NCCCOC1=C(Br)C=C(C=O)C=C1Br)[C@@H]2O
InChI: InChI=1S/C20H18Br4N2O7/c1-30-16-13(23)7-20(32-9-14(16)24)18(28)15(26-33-20)19(29)25-3-2-4-31-17-11(21)5-10(8-27)6-12(17)22/h5-6,8-9,18,28H,2-4,7H2,1H3,(H,25,29)/t18-,20-/m0/s1
InChIKey: VUEMVYYBSDUKIQ-ICSRJNTNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aplysinella | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 717.9870000000003
TPSA？: 115.68
MolLogP？: 4.262100000000004
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | GI | None | None | 10.1021/np300560b |