Cycloanthranilylproline
AlkaPlorer ID: AK036413
Synonym: 'Cycloanthranilylproline'
IUPAC Name: (6aS)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
Structure
SMILES: O=C1NC2=CC=CC=C2C(=O)N2CCC[C@@H]12
InChI: InChI=1S/C12H12N2O2/c15-11-10-6-3-7-14(10)12(16)8-4-1-2-5-9(8)13-11/h1-2,4-5,10H,3,6-7H2,(H,13,15)/t10-/m0/s1
InChIKey: MXBNEEHQIDLPLQ-JTQLQIEISA-N
Reference
Chemical Constituents of<i>Isatis indigotica</i>
PubChem CID: 677114
LOTUS: LTS0097385
SuperNatural Ⅲ: SN0237704-02
NPASS: NPC122553
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fuligo candida | Fuligo | Physaraceae | Physariida | Eumycetozoa | Evosea | None | Eukaryota |
Properties Information
Molecule Weight: 216.23999999999992
TPSA？: 49.41
MolLogP？: 1.2432999999999998
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | Activity | 70.3 | % | 10.1016/j.bmcl.2006.11.004 |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | -5.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Z score | 0.56 | None | 10.6019/CHEMBL4888484 |
| None | Unchecked | Activity | 95.5 | % | 10.1021/jm101244n |