angustilobine B, (rac)-
AlkaPlorer ID: AK034974
Synonym: 'Angustilobine B; 15-Epimer(?)'
IUPAC Name: methyl (12S,18S)-14-oxa-1,10-diazapentacyclo[15.3.1.03,11.04,9.012,18]henicosa-3(11),4,6,8,16-pentaene-12-carboxylate
Structure
SMILES: COC(=O)[C@@]12COCC=C3CN(CC[C@@H]31)CC1=C2NC2=CC=CC=C12
InChI: InChI=1S/C20H22N2O3/c1-24-19(23)20-12-25-9-7-13-10-22(8-6-16(13)20)11-15-14-4-2-3-5-17(14)21-18(15)20/h2-5,7,16,21H,6,8-12H2,1H3/t16-,20-/m0/s1
InChIKey: IFPNVCKONQNHIZ-JXFKEZNVSA-N
Reference
Indole alkaloids from Alstonia scholaris
PubChem CID: 162945081
LOTUS: LTS0179290
NPASS: NPC1770
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plumbago indica | Plumbago | Plumbaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.407
TPSA？: 54.56
MolLogP？: 2.3708
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Inhibition | 50.0 | % | 10.1016/j.ejmech.2017.06.005 |