Eudistomidin I
AlkaPlorer ID: AK080162
Synonym: None
IUPAC Name: (4S,5R)-4-benzyl-12-bromo-3,6-dimethyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Structure
SMILES: CN1CN2C3=C(CCN(C)[C@@H]3[C@@H]1CC1=CC=CC=C1)C1=CC(Br)=CC=C12
InChI: InChI=1S/C22H24BrN3/c1-24-11-10-17-18-13-16(23)8-9-19(18)26-14-25(2)20(22(24)21(17)26)12-15-6-4-3-5-7-15/h3-9,13,20,22H,10-12,14H2,1-2H3/t20-,22+/m0/s1
InChIKey: DJAYVOJDCFDUFD-RBBKRZOGSA-N
Reference
Eudistomidins H–K, new β-carboline alkaloids from the Okinawan marine tunicate Eudistoma glaucus
PubChem CID: 56683231
LOTUS: LTS0162208
NPASS: NPC195507
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: 410.3590000000001
TPSA？: 11.41
MolLogP？: 4.447000000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 10.0 | ug.mL-1 | 10.1016/j.bmcl.2011.05.072 |
| Mus musculus | L1210 | IC50 | 10.0 | ug.mL-1 | 10.1016/j.bmcl.2011.05.072 |
| Mus musculus | P388 | IC50 | 10.0 | ug.mL-1 | 10.1016/j.bmcl.2011.05.072 |