Mahanimbine
AlkaPlorer ID: AK015552
Synonym: '', 'Mahanimbine'
IUPAC Name: (3R)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
Structure
SMILES: CC(C)=CCC[C@]1(C)C=CC2=C3NC4=CC=CC=C4C3=CC(C)=C2O1
InChI: InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3/t23-/m1/s1
InChIKey: HTNVFUBCWIYPJN-HSZRJFAPSA-N
Reference
Murrayamine-A,-B,-C and (+)-mahanine, carbazole alkaloids from Murraya euchrestifolia
PubChem CID: 37888682
LOTUS: LTS0226954
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.4590000000001
TPSA？: 25.02
MolLogP？: 6.540220000000006
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | ASPC1 | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | HCT-116 | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | HeLa | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | K562 | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | MIA PaCa-2 | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | MOLT-3 | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | MOLT-4 | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | NCI-H23 | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | PANC-1 | Activity | 1.13 | % | 10.1021/jm400290q |
| Homo sapiens | PANC-1 | Activity | 15.3 | % | 10.1021/jm400290q |
| Homo sapiens | PANC-1 | Activity | 17.06 | % | 10.1021/jm400290q |
| Homo sapiens | PANC-1 | Activity | nan | None | 10.1021/jm400290q |
| Homo sapiens | PANC-1 | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | REH | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | SW480 | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| Homo sapiens | T98G | Activity | 9.58 | % | 10.1021/jm400290q |
| Homo sapiens | T98G | Activity | 10.13 | % | 10.1021/jm400290q |
| Homo sapiens | T98G | Activity | 16.72 | % | 10.1021/jm400290q |
| Homo sapiens | T98G | Activity | nan | None | 10.1021/jm400290q |
| Homo sapiens | T98G | GI | nan | None | 10.1021/jm400290q |
| Homo sapiens | T98G | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| None | ADMET | K | 0.088 | /min | 10.1021/acs.jnatprod.5b00883 |
| None | ADMET | Stability | 61.0 | % | 10.1021/acs.jnatprod.5b00883 |
| None | ADMET | T1/2 | 0.13 | hr | 10.1021/acs.jnatprod.5b00883 |
| None | Molecular identity unknown | Activity | nan | None | 10.1021/acs.jnatprod.5b00883 |
| None | Molecular identity unknown | FC | 1.26 | None | 10.1021/acs.jnatprod.5b00883 |
| None | Molecular identity unknown | FC | 1.41 | None | 10.1021/acs.jnatprod.5b00883 |
| None | Molecular identity unknown | FC | 2.68 | None | 10.1021/acs.jnatprod.5b00883 |
| None | NON-PROTEIN TARGET | IC50 | 25000.0 | nM | 10.1021/jm400290q |
| None | NON-PROTEIN TARGET | Inhibition | 19.3 | % | 10.1021/acs.jnatprod.5b00883 |
| None | NON-PROTEIN TARGET | Inhibition | 23.3 | % | 10.1021/acs.jnatprod.5b00883 |
| None | Unchecked | Activity | nan | None | 10.1021/jm400290q |