Septicine
AlkaPlorer ID: AK024304
Synonym: None
IUPAC Name: (8aR)-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-/m1/s1
InChIKey: MXMHNOVMTJDCLE-GOSISDBHSA-N
Reference
Aminocaprophenone- and Pyrrolidine-Type Alkaloids from the Leaves of <i>Ficus septica</i>
PubChem CID: 10763252
LOTUS: LTS0174410
SuperNatural Ⅲ: SN0238022-01
NPASS: NPC11147
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ficus septica | Ficus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
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 | HeLa | IC50 | 38000.0 | nM | 10.1021/np900580f |
| None | NON-PROTEIN TARGET | IC50 | 63000.0 | nM | 10.1021/np900580f |