Macrogentine
AlkaPlorer ID: AK026976
Synonym: '', 'macrogentine'
IUPAC Name: (1R,2S,4S,5R,7S,9R)-1',9-dimethyl-2-(2-oxopropyl)spiro[10-oxa-8-azatricyclo[5.4.0.04,8]undecane-5,3'-indole]-2'-one
Structure
SMILES: CC(=O)C[C@@H]1C[C@@H]2N3[C@@H](C)OC[C@H]1[C@@H]3C[C@]21C(=O)N(C)C2=CC=CC=C21
InChI: InChI=1S/C21H26N2O3/c1-12(24)8-14-9-19-21(10-18-15(14)11-26-13(2)23(18)19)16-6-4-5-7-17(16)22(3)20(21)25/h4-7,13-15,18-19H,8-11H2,1-3H3/t13-,14-,15-,18+,19+,21-/m1/s1
InChIKey: FUFCKBIZSJGNAI-RKBASDMCSA-N
Reference
Alkaloids from Alstonia angustifolia
PubChem CID: 15884897
LOTUS: LTS0071297
SuperNatural Ⅲ: SN0095655-02
NPASS: NPC113946
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia angustifolia | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45000000000005
TPSA？: 49.85
MolLogP？: 2.3351
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 25.0 | ug.mL-1 | 10.1021/np500439u |
| None | NON-PROTEIN TARGET | IC50 | 25.0 | ug.mL-1 | 10.1021/np500439u |