Pterocellin E
AlkaPlorer ID: AK035260
Synonym: None
IUPAC Name: 8-methoxy-6-[8-methoxy-1-(2-methylpropyl)-5,7-dioxopyrido[4,3-b]indolizin-6-yl]-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(C2=C3C(=O)C4=CC=NC(CC(C)C)=C4N3C=C(OC)C2=O)C1=O
InChI: InChI=1S/C32H30N4O6/c1-15(2)11-19-25-17(7-9-33-19)29(37)27-23(31(39)21(41-5)13-35(25)27)24-28-30(38)18-8-10-34-20(12-16(3)4)26(18)36(28)14-22(42-6)32(24)40/h7-10,13-16H,11-12H2,1-6H3
InChIKey: LYLGSTUCVSNTAR-UHFFFAOYSA-N
Reference
Further Pterocellins from the New Zealand Marine Bryozoan <i>Pterocella vesiculosa</i>
PubChem CID: 24770105
CAS: 1000598-25-3
LOTUS: LTS0072491
SuperNatural Ⅲ: SN0218835
COCONUT: CNP0251949
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterocella vesiculosa | Pterocella | Catenicellidae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 566.6140000000004
TPSA？: 122.38000000000002
MolLogP？: 3.948400000000003
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 |