9-Deoxy Tilivalline
AlkaPlorer ID: AK351258
Synonym: None
IUPAC Name: 6-(1H-indol-3-yl)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Structure
SMILES: O=C1C2=CC=CC=C2NC(C2=CNC3=CC=CC=C23)C2CCCN12
InChI: InChI=1S/C20H19N3O/c24-20-14-7-2-4-9-17(14)22-19(18-10-5-11-23(18)20)15-12-21-16-8-3-1-6-13(15)16/h1-4,6-9,12,18-19,21-22H,5,10-11H2
InChIKey: CAWZYUQNVABYFN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus eapokensis | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 317.39200000000017
TPSA？: 48.13
MolLogP？: 3.939300000000002
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|