Hexadellin B
AlkaPlorer ID: AK300282
Synonym: None
IUPAC Name: N-[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]-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(O)C2(C=C1Br)CC(C(=O)NCCC1=CC(Br)=C(OCCCN)C(Br)=C1)=NO2
InChI: InChI=1S/C21H23Br4N3O5/c1-31-18-14(24)9-21(19(29)16(18)25)10-15(28-33-21)20(30)27-5-3-11-7-12(22)17(13(23)8-11)32-6-2-4-26/h7-9,19,29H,2-6,10,26H2,1H3,(H,27,30)
InChIKey: YLBPHENGILWCBM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hexadella | Ianthellidae | 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 |
|---|