136094-35-4
AlkaPlorer ID: AK045263
Synonym: None
IUPAC Name: (4R)-11-bromo-3-methyl-4-[[(R)-methylsulfinyl]methyl]-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-12-ol
Structure
SMILES: CN1CN2C3=CC=C(O)C(Br)=C3C3=CC=NC(=C32)[C@@H]1C[S@@](C)=O
InChI: InChI=1S/C16H16BrN3O2S/c1-19-8-20-10-3-4-12(21)14(17)13(10)9-5-6-18-15(16(9)20)11(19)7-23(2)22/h3-6,11,21H,7-8H2,1-2H3/t11-,23+/m0/s1
InChIKey: FKKGARBPUIRMFS-BSNNYGBQSA-N
Reference
Eudistomidins E and F, new β-carboline alkaloids from the okinawan marine tunicate Eudistoma glaucus
PubChem CID: 162908797
LOTUS: LTS0265732
SuperNatural Ⅲ: SN0260167-01
NPASS: NPC75288
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vepris stolzii | Vepris | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ascochyta fabae | Ascochyta | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 394.2940000000001
TPSA？: 58.36
MolLogP？: 2.980100000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|