Oxostephanine
AlkaPlorer ID: AK031943
Synonym: None
IUPAC Name: 15-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one
Structure
SMILES: COC1=CC=CC2=C1C(=O)C1=NC=CC3=CC4=C(OCO4)C2=C13
InChI: InChI=1S/C18H11NO4/c1-21-11-4-2-3-10-14(11)17(20)16-13-9(5-6-19-16)7-12-18(15(10)13)23-8-22-12/h2-7H,8H2,1H3
InChIKey: HPWGRUBQQWPQKG-UHFFFAOYSA-N
Reference
Trivalvone, une Nouvelle Bis-aporphine des Ecorces de Trivalvaria macrophylla
PubChem CID: 343547
CAS: 58262-58-1
LOTUS: LTS0048190
SuperNatural Ⅲ: SN0132216
COCONUT: CNP0137196
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Polyalthia insignis | Polyalthia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 305.2890000000001
TPSA？: 57.650000000000006
MolLogP？: 3.1835000000000013
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 28000.0 | nM | 10.1021/np970382v |
| Chlorocebus sabaeus | Vero | MTC | 15.0 | uM | 10.1021/np970382v |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 25.0 | ug.mL-1 | 10.1016/j.ejmech.2022.114173 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 50.0 | ug.mL-1 | 10.1016/j.ejmech.2011.12.029 |
| Poliovirus 2 | Poliovirus 2 | Activity | nan | None | 10.1021/np970382v |