methyl 4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoate
AlkaPlorer ID: AK259272
Synonym: None
IUPAC Name: methyl 4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoate
Structure
SMILES: COCC1=CC=C(C=O)N1CCCC(=O)OC
InChI: InChI=1S/C12H17NO4/c1-16-9-11-6-5-10(8-14)13(11)7-3-4-12(15)17-2/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey: XLRBRYWTMDPGLK-UHFFFAOYSA-N
Reference
Alkaloids and sesquiterpenoids from<i>Acorus tatarinowii</i>
PubChem CID: 10911621
CAS: 550348-26-0
LOTUS: LTS0191296
SuperNatural Ⅲ: SN0433597
COCONUT: CNP0331304
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acorus calamus | Acorus | Acoraceae | Acorales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 239.2709999999999
TPSA？: 57.53
MolLogP？: 1.4002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Rattus norvegicus | Relative protection | 8.9 | % | 10.1016/s0960-894x(02)00846-6 |
| Rattus norvegicus | Rattus norvegicus | Relative protection | 13.2 | % | 10.1016/s0960-894x(02)00846-6 |
| Rattus norvegicus | Rattus norvegicus | Relative protection | 15.9 | % | 10.1016/s0960-894x(02)00846-6 |
| Rattus norvegicus | Rattus norvegicus | Relative protection | 38.5 | % | 10.1016/s0960-894x(02)00846-6 |