(4S,5S)-N-{3-[4-(3-aminopropyl)-2,6-dibromophenoxy]propyl}-8,10-dibromo-4-hydroxy-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide
AlkaPlorer ID: AK087213
Synonym: None
IUPAC Name: (4S,5S)-N-[3-[4-(3-aminopropyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-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(CCCN)C=C1Br)[C@@H]2O
InChI: InChI=1S/C22H25Br4N3O6/c1-32-18-15(25)10-22(34-11-16(18)26)20(30)17(29-35-22)21(31)28-6-3-7-33-19-13(23)8-12(4-2-5-27)9-14(19)24/h8-9,11,20,30H,2-7,10,27H2,1H3,(H,28,31)/t20-,22-/m0/s1
InChIKey: DYAHFZFDIOQZGN-UNMCSNQZSA-N
Reference
Bioactive Brominated Metabolites from the Red Sea Sponge <i>Pseudoceratina arabica</i>
PubChem CID: 162939502
LOTUS: LTS0173395
SuperNatural Ⅲ: SN0078530-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoceratina arabica | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 747.073
TPSA？: 124.63
MolLogP？: 4.340900000000003
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|