Pyrrolezanthine
AlkaPlorer ID: AK014354
Synonym: None
IUPAC Name: 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde
Structure
SMILES: O=CC1=CC=C(CO)N1CCC1=CC=C(O)C=C1
InChI: InChI=1S/C14H15NO3/c16-9-12-3-4-13(10-17)15(12)8-7-11-1-5-14(18)6-2-11/h1-6,9,17-18H,7-8,10H2
InChIKey: KPSZYAMCIRWUTK-UHFFFAOYSA-N
Reference
PubChem CID: 636825
CAS: 500574-37-8
LOTUS: LTS0168877
SuperNatural Ⅲ: SN0192092
COCONUT: CNP0325444
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum simulans | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 245.278
TPSA？: 62.46
MolLogP？: 1.7412
Number of H-Donors: 2
Number of H-Acceptors: 4
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 | 58800.0 | nM | 10.1021/np500402a |