Pterocellin D
AlkaPlorer ID: AK090490
Synonym: None
IUPAC Name: 8-methoxy-1-(2-methylpropyl)-6-propan-2-ylpyrido[4,3-b]indolizine-5,7-dione
Structure
SMILES: COC1=CN2C3=C(CC(C)C)N=CC=C3C(=O)C2=C(C(C)C)C1=O
InChI: InChI=1S/C19H22N2O3/c1-10(2)8-13-16-12(6-7-20-13)18(22)17-15(11(3)4)19(23)14(24-5)9-21(16)17/h6-7,9-11H,8H2,1-5H3
InChIKey: YQHVSSSUUIVBQC-UHFFFAOYSA-N
Reference
Further Pterocellins from the New Zealand Marine Bryozoan <i>Pterocella vesiculosa</i>
PubChem CID: 24770102
CAS: 1000598-24-2
LOTUS: LTS0123623
SuperNatural Ⅲ: SN0457435
COCONUT: CNP0191755
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterocella vesiculosa | Pterocella | Catenicellidae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 326.3960000000001
TPSA？: 61.190000000000005
MolLogP？: 3.107400000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
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 | 0.5 | ug | 10.1021/np070255r |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np070255r |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | Activity | nan | None | 10.1021/np070255r |
| Mus musculus | P388 | IC50 | 4.773 | 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 |