5-(13-methyltetradecyl)-1H-pyrrole-2-carbaldehyde
AlkaPlorer ID: AK014387
Synonym: None
IUPAC Name: 5-(13-methyltetradecyl)-1H-pyrrole-2-carbaldehyde
Structure
SMILES: CC(C)CCCCCCCCCCCCC1=CC=C(C=O)N1
InChI: InChI=1S/C20H35NO/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(17-22)21-19/h15-18,21H,3-14H2,1-2H3
InChIKey: XMSFQSOGXJQHKU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycale cecilia | Mycale | Mycalidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 305.506
TPSA？: 32.86
MolLogP？: 6.316800000000007
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | 20000.0 | nM | 10.1021/np900444m |