Aerophobin 2; (+)-form, N16-Me
AlkaPlorer ID: AK283395
Synonym: N-Methylaerophobin 2
IUPAC Name: 7,9-dibromo-6-hydroxy-8-methoxy-N-[3-[2-(methylamino)-1H-imidazol-5-yl]propyl]-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Structure
SMILES: CNC1=NC(CCCNC(=O)C2=NOC3(C=C(Br)C(OC)=C(Br)C3O)C2)=CN1
InChI: InChI=1S/C17H21Br2N5O4/c1-20-16-22-8-9(23-16)4-3-5-21-15(26)11-7-17(28-24-11)6-10(18)13(27-2)12(19)14(17)25/h6,8,14,25H,3-5,7H2,1-2H3,(H,21,26)(H2,20,22,23)
InChIKey: YFVBGSWYJWACGB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aiolochroia crassa | Aiolochroia | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 519.1940000000002
TPSA？: 120.86
MolLogP？: 1.9215
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|