Jiangrine B
AlkaPlorer ID: AK078257
Synonym: 'Jiangrine B'
IUPAC Name: 1-[2-(1H-indol-3-yl)ethyl]-5-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrole-2-carbaldehyde
Structure
SMILES: O=CC1=CC=C([C@H](O)[C@H](O)CO)N1CCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C18H20N2O4/c21-10-13-5-6-16(18(24)17(23)11-22)20(13)8-7-12-9-19-15-4-2-1-3-14(12)15/h1-6,9-10,17-19,22-24H,7-8,11H2/t17-,18+/m1/s1
InChIKey: ZRBCSTRGKLTTKW-MSOLQXFVSA-N
Reference
Jiangrines A–F and Jiangolide from an Actinobacterium, <i>Jiangella gansuensis</i>
PubChem CID: 118722353
LOTUS: LTS0220153
NPASS: NPC472285
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jiangella gansuensis | Jiangella | Jiangellaceae | Jiangellales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 328.368
TPSA？: 98.48
MolLogP？: 1.4112
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1021/np500402a |
| Mus musculus | RAW264.7 | IC50 | 60700.0 | nM | 10.1021/np500402a |