5-[(14E,17E,20E)-tricosa-14,17,20-trien-1-yl]-1H-pyrrole-2-carbaldehyde
AlkaPlorer ID: AK062221
Synonym: None
IUPAC Name: 5-tricosa-14,17,20-trienyl-1H-pyrrole-2-carbaldehyde
Structure
SMILES: CCC=CCC=CCC=CCCCCCCCCCCCCCC1=CC=C(C=O)N1
InChI: InChI=1S/C28H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-25-28(26-30)29-27/h3-4,6-7,9-10,24-26,29H,2,5,8,11-23H2,1H3
InChIKey: GACBJWLNOWOUHZ-UHFFFAOYSA-N
Reference
Structure and cytotoxicity of new metabolites from the sponge Mycale cecilia
PubChem CID: 85425444
LOTUS: LTS0101758
COCONUT: CNP0127255
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycale cecilia | Mycale | Mycalidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 411.67400000000015
TPSA？: 32.86
MolLogP？: 8.909700000000004
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|