Jiangrine A
AlkaPlorer ID: AK048249
Synonym: 'Jiangrine A'
IUPAC Name: 1-[2-(4-hydroxyphenyl)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=CC=C(O)C=C1
InChI: InChI=1S/C16H19NO5/c18-9-12-3-6-14(16(22)15(21)10-19)17(12)8-7-11-1-4-13(20)5-2-11/h1-6,9,15-16,19-22H,7-8,10H2/t15-,16+/m1/s1
InChIKey: OFBWCUWERYAJIG-CVEARBPZSA-N
Reference
Jiangrines A–F and Jiangolide from an Actinobacterium, <i>Jiangella gansuensis</i>
PubChem CID: 101893591
LOTUS: LTS0017109
NPASS: NPC472284
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jiangella gansuensis | Jiangella | Jiangellaceae | Jiangellales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 305.33
TPSA？: 102.92
MolLogP？: 0.6355
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
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 | 97800.0 | nM | 10.1021/np500402a |