Pterocellin F
AlkaPlorer ID: AK051343
Synonym: None
IUPAC Name: 8-methoxy-6-[[8-methoxy-1-(2-methylpropyl)-5,7-dioxopyrido[4,3-b]indolizin-6-yl]methyl]-1-(2-methylpropyl)pyrido[4,3-b]indolizine-5,7-dione
Structure
SMILES: COC1=CN2C3=C(CC(C)C)N=CC=C3C(=O)C2=C(CC2=C3C(=O)C4=CC=NC(CC(C)C)=C4N3C=C(OC)C2=O)C1=O
InChI: InChI=1S/C33H32N4O6/c1-16(2)11-22-26-18(7-9-34-22)32(40)28-20(30(38)24(42-5)14-36(26)28)13-21-29-33(41)19-8-10-35-23(12-17(3)4)27(19)37(29)15-25(43-6)31(21)39/h7-10,14-17H,11-13H2,1-6H3
InChIKey: KHAWILXQMFECKH-UHFFFAOYSA-N
Reference
Further Pterocellins from the New Zealand Marine Bryozoan <i>Pterocella vesiculosa</i>
PubChem CID: 24770103
CAS: 1000598-26-4
LOTUS: LTS0231361
SuperNatural Ⅲ: SN0185431
COCONUT: CNP0184048
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterocella vesiculosa | Pterocella | Catenicellidae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 580.6410000000003
TPSA？: 122.38000000000002
MolLogP？: 3.872200000000003
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 6
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 | 1.0 | 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 |