57992-60-6
AlkaPlorer ID: AK093190
Synonym: None
IUPAC Name: methyl 3-icosyl-1H-pyrrole-2-carboxylate
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCC1=C(C(=O)OC)NC=C1
InChI: InChI=1S/C26H47NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23-27-25(24)26(28)29-2/h22-23,27H,3-21H2,1-2H3
InChIKey: NKFXPBLZYZAVQM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oscarella lobularis | Oscarella | Oscarellidae | Homosclerophorida | Homoscleromorpha | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 405.6670000000001
TPSA？: 42.09
MolLogP？: 8.385500000000008
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|