Shewanelline A
AlkaPlorer ID: AK119582
Synonym: None
IUPAC Name: (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one
Structure
SMILES: CO[C@]1(C2=CNC3=CC=CC=C23)C(=O)NC2=CC=CC=C21
InChI: InChI=1S/C17H14N2O2/c1-21-17(12-7-3-5-9-15(12)19-16(17)20)13-10-18-14-8-4-2-6-11(13)14/h2-10,18H,1H3,(H,19,20)/t17-/m1/s1
InChIKey: FQODSUYCYUUQBF-QGZVFWFLSA-N
Reference
Indole-based alkaloids from deep-sea bacterium Shewanella piezotolerans with antitumor activities
PubChem CID: 156581137
{NPAtlas: NPA029844
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Shewanella piezotolerans | Shewanella | Shewanellaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 278.31100000000004
TPSA？: 54.120000000000005
MolLogP？: 3.0100000000000007
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|