[15-[(1S)-1-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)ethyl]-13-oxa-4,11-diaza-8-azoniatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,10(14),11-heptaen-12-yl]methanesulfonate
AlkaPlorer ID: AK002723
Synonym: None
IUPAC Name: [15-[(1S)-1-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)ethyl]-13-oxa-4,11-diaza-8-azoniatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,10(14),11-heptaen-12-yl]methanesulfonate
Structure
SMILES: C[N+](C)(C)C[C@@H](C1=CNC2=C1C=CC(=C2)Br)C3=C4C=CNC5=C4C(=[NH+]C=C5)C6=C3OC(=N6)CS(=O)(=O)[O-]
InChI: InChI=1S/C26H24BrN5O4S/c1-32(2,3)12-18(17-11-30-20-10-14(27)4-5-15(17)20)22-16-6-8-28-19-7-9-29-24(23(16)19)25-26(22)36-21(31-25)13-37(33,34)35/h4-11,18,28,30H,12-13H2,1-3H3/p+1/t18-/m0/s1
InChIKey: FBXRFLKYBKIWJQ-SFHVURJKSA-O
Reference
Nakijinamines C–E, New Heteroaromatic Alkaloids from the Sponge Suberites Species
PubChem CID: 171120652
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 583.4880000000003
TPSA？: 125.19
MolLogP？: 4.318400000000002
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|