Araplysillin I
AlkaPlorer ID: AK032479
Synonym: None
IUPAC Name: (5S,6R)-N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Structure
SMILES: COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCOC1=C(Br)C=C(CCN)C=C1Br)=NO2
InChI: InChI=1S/C21H23Br4N3O5/c1-31-18-14(24)9-21(19(29)16(18)25)10-15(28-33-21)20(30)27-5-2-6-32-17-12(22)7-11(3-4-26)8-13(17)23/h7-9,19,29H,2-6,10,26H2,1H3,(H,27,30)/t19-,21+/m0/s1
InChIKey: DJOILUOUAWXGIG-PZJWPPBQSA-N
Reference
Two New Brominated Tyrosine Derivatives from the Sponge Druinella (=Psammaplysilla) purpurea
PubChem CID: 23426312
LOTUS: LTS0174319
SuperNatural Ⅲ: SN0067464-05
NPASS: NPC259071
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberea ianthelliformis | Suberea | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 717.0469999999999
TPSA？: 115.4
MolLogP？: 4.019200000000002
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 65.0 | % | 10.1021/np300147d |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 60.0 | % | 10.1021/np300147d |