5-[(12E,15E)-henicosa-12,15-dien-1-yl]-1H-pyrrole-2-carbaldehyde
AlkaPlorer ID: AK062208
Synonym: None
IUPAC Name: 5-henicosa-12,15-dienyl-1H-pyrrole-2-carbaldehyde
Structure
SMILES: CCCCCC=CCC=CCCCCCCCCCCCC1=CC=C(C=O)N1
InChI: InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-23-26(24-28)27-25/h6-7,9-10,22-24,27H,2-5,8,11-21H2,1H3
InChIKey: QBQBFMQWBJGYPF-UHFFFAOYSA-N
Reference
Structure and cytotoxicity of new metabolites from the sponge Mycale cecilia
PubChem CID: 85417605
LOTUS: LTS0116375
COCONUT: CNP0267758
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycale cecilia | Mycale | Mycalidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 385.6360000000001
TPSA？: 32.86
MolLogP？: 8.353500000000007
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|