(13Z)-6-[2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-10-(2-methylpropyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,?]nonadeca-1(17),13,15,18-tetraene-8,11-dione
AlkaPlorer ID: AK535605
Synonym: None
IUPAC Name: (3S,7S,10R,13Z)-6-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-10-(2-methylpropyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraene-8,11-dione
Structure
SMILES: CC(C)C[C@H]1N=C(O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC2=CNC3=CC=CC=C23)N(C)C)OC2=CC=C(/C=C\N=C1O)C=C2
InChI: InChI=1S/C32H39N5O4/c1-20(2)17-26-30(38)33-15-13-21-9-11-23(12-10-21)41-28-14-16-37(29(28)31(39)35-26)32(40)27(36(3)4)18-22-19-34-25-8-6-5-7-24(22)25/h5-13,15,19-20,26-29,34H,14,16-18H2,1-4H3,(H,33,38)(H,35,39)/b15-13-/t26-,27+,28+,29+/m1/s1
InChIKey: UGXWWFQLBWKALP-QUQHWYIISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus spina-christi | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 557.6950000000002
TPSA？: 113.75
MolLogP？: 5.001100000000004
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|