CJ-15,208
AlkaPlorer ID: AK071553
Synonym: None
IUPAC Name: (3S,9S,12R)-3,9-dibenzyl-6-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Structure
SMILES: O=C1[C@H](CC2=CC=CC=C2)N=C(O)C(CC2=CNC3=CC=CC=C23)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H]2CCCN12
InChI: InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28?,29-,30+/m0/s1
InChIKey: GIZJWWQFOGQPRY-PNOBFKRHSA-N
Reference
CJ-15,208, a Novel Kappa Opioid Receptor Antagonist from a Fungus, Ctenomyces serratus ATCC15502.
PubChem CID: 11050118
LOTUS: LTS0099954
{NPAtlas: NPA016821
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ctenomyces serratus | Ctenomyces | Arthrodermataceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 577.685
TPSA？: 133.87
MolLogP？: 5.175700000000004
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|