Mauritine A
AlkaPlorer ID: AK009859
Synonym: None
IUPAC Name: (2S)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanamide
Structure
SMILES: CC(C)[C@H](N=C(O)[C@H](C)N(C)C)C(=O)N1CC[C@@H]2OC3=CC=C(/C=C\N=C(O)[C@H](CC4=CC=CC=C4)N=C(O)[C@H]21)C=C3
InChI: InChI=1S/C32H41N5O5/c1-20(2)27(35-29(38)21(3)36(4)5)32(41)37-18-16-26-28(37)31(40)34-25(19-23-9-7-6-8-10-23)30(39)33-17-15-22-11-13-24(42-26)14-12-22/h6-15,17,20-21,25-28H,16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/b17-15-/t21-,25-,26-,27-,28-/m0/s1
InChIKey: OGCOHPMZUTVUAD-NHFZPNTRSA-N
Reference
Cyclopeptide Alkaloids from <i>Ziziphus apetala</i>
PubChem CID: 11353668
LOTUS: LTS0272708
SuperNatural Ⅲ: SN0264496-07
NPASS: NPC254700
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus apetala | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ziziphus mauritiana | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Euphorbia helioscopia | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 575.7100000000003
TPSA？: 130.55
MolLogP？: 4.474700000000003
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | 52.0 | ug.mL-1 | 10.1021/np200755t |
| Homo sapiens | BGC-823 | Activity | nan | None | 10.1021/np200755t |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/np200755t |
| Mus musculus | 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | 31.2 | ug.mL-1 | 10.1021/np200755t |