57992-61-7
AlkaPlorer ID: AK093193
Synonym: None
IUPAC Name: methyl 3-henicosyl-1H-pyrrole-2-carboxylate
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCC1=C(C(=O)OC)NC=C1
InChI: InChI=1S/C27H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-28-26(25)27(29)30-2/h23-24,28H,3-22H2,1-2H3
InChIKey: ODNLNTBCRZSBRB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oscarella lobularis | Oscarella | Oscarellidae | Homosclerophorida | Homoscleromorpha | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 419.6940000000001
TPSA？: 42.09
MolLogP？: 8.775600000000004
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|