Pterocellin C
AlkaPlorer ID: AK043890
Synonym: None
IUPAC Name: 8-methoxy-1-(2-methylpropyl)-6-(5-oxohexyl)pyrido[4,3-b]indolizine-5,7-dione
Structure
SMILES: COC1=CN2C3=C(CC(C)C)N=CC=C3C(=O)C2=C(CCCCC(C)=O)C1=O
InChI: InChI=1S/C22H26N2O4/c1-13(2)11-17-19-16(9-10-23-17)22(27)20-15(8-6-5-7-14(3)25)21(26)18(28-4)12-24(19)20/h9-10,12-13H,5-8,11H2,1-4H3
InChIKey: AMAJESHGZRCEHZ-UHFFFAOYSA-N
Reference
Further Pterocellins from the New Zealand Marine Bryozoan <i>Pterocella vesiculosa</i>
PubChem CID: 24770104
CAS: 1000598-23-1
LOTUS: LTS0124750
SuperNatural Ⅲ: SN0009202
COCONUT: CNP0161084
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterocella vesiculosa | Pterocella | Catenicellidae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 382.46000000000026
TPSA？: 78.26
MolLogP？: 3.285800000000002
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Amorphotheca resinae | Amorphotheca resinae | Activity | nan | None | 10.1021/np070255r |
| Bacillus subtilis | Bacillus subtilis | MIC | 0.2 | ug | 10.1021/np070255r |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np070255r |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np070255r |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | Activity | nan | None | 10.1021/np070255r |
| Mus musculus | P388 | IC50 | 6.25 | ug.mL-1 | 10.1021/np070255r |
| Poliovirus 1 | Poliovirus 1 | Activity | nan | None | 10.1021/np070255r |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/np070255r |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | Activity | nan | None | 10.1021/np070255r |
| None | ADMET | Activity | nan | None | 10.1021/np070255r |