Septicine
AlkaPlorer ID: AK024303
Synonym: ''
IUPAC Name: (8aS)-6,7-bis(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine
Structure
SMILES: COC1=CC=C(C2=C(C3=CC=C(OC)C(OC)=C3)CN3CCC[C@H]3C2)C=C1OC
InChI: InChI=1S/C24H29NO4/c1-26-21-9-7-16(12-23(21)28-3)19-14-18-6-5-11-25(18)15-20(19)17-8-10-22(27-2)24(13-17)29-4/h7-10,12-13,18H,5-6,11,14-15H2,1-4H3/t18-/m0/s1
InChIKey: MXMHNOVMTJDCLE-SFHVURJKSA-N
Reference
Alkaloids of Tylophora II: Structural Studies
PubChem CID: 12315461
LOTUS: LTS0127740
SuperNatural Ⅲ: SN0238022-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 395.49900000000025
TPSA？: 40.16
MolLogP？: 4.499900000000004
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | GI50 | 18500.0 | nM | 10.1021/jm300705j |
| Homo sapiens | NCI-H460 | GI50 | 17000.0 | nM | 10.1021/jm300705j |
| Homo sapiens | NUGC-3 | GI50 | 14500.0 | nM | 10.1021/jm300705j |
| Homo sapiens | SF-268 | GI50 | 24200.0 | nM | 10.1021/jm300705j |
| Transmissible gastroenteritis virus | Transmissible gastroenteritis virus | EC50 | 15400.0 | nM | 10.1021/jm300705j |
| None | NON-PROTEIN TARGET | GI50 | 17300.0 | nM | 10.1021/jm300705j |