19-hydroxypsammaplysin E
AlkaPlorer ID: AK112124
Synonym: None
IUPAC Name: (4S,5S)-7,9-dibromo-N-[3-[2,6-dibromo-4-[1-hydroxy-2-[(2-hydroxy-5-oxocyclopenta-1,3-dien-1-yl)methylideneamino]ethyl]phenoxy]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)CNC=C3C(=O)C=CC3=O)C=C1Br)[C@@H]2O
InChI: InChI=1S/C27H25Br4N3O9/c1-40-23-17(30)9-27(42-12-18(23)31)25(38)22(34-43-27)26(39)33-5-2-6-41-24-15(28)7-13(8-16(24)29)21(37)11-32-10-14-19(35)3-4-20(14)36/h3-4,7-8,10,12,21,25,32,37-38H,2,5-6,9,11H2,1H3,(H,33,39)/t21?,25-,27-/m0/s1
InChIKey: ALQMQVUOKZVSGT-SLCPUWTHSA-N
Reference
NPASS: NPC470746
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aplysinella | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 855.1250000000002
TPSA？: 165.01
MolLogP？: 3.6645000000000025
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | GI | nan | None | 10.1021/np300560b |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 6400.0 | nM | 10.1021/np300560b |