(6S,9R,12R)-9-[(2S)-butan-2-yl]-15-methoxy-12-(methylamino)-6-(2-methylpropyl)-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione
AlkaPlorer ID: AK339903
Synonym: None
IUPAC Name: (2Z,6S,9S,12S)-9-[(2S)-butan-2-yl]-15-methoxy-12-(methylamino)-6-(2-methylpropyl)-4,7,10-triazabicyclo[12.3.1]octadeca-1(18),2,14,16-tetraene-5,8,11-trione
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](NC)CC2=CC(=CC=C2OC)/C=C\N=C(O)[C@H](CC(C)C)N=C1O
InChI: InChI=1S/C25H38N4O4/c1-7-16(4)22-25(32)28-20(12-15(2)3)23(30)27-11-10-17-8-9-21(33-6)18(13-17)14-19(26-5)24(31)29-22/h8-11,13,15-16,19-20,22,26H,7,12,14H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/b11-10-/t16-,19-,20-,22-/m0/s1
InChIKey: BAVHHCZUKBUMSO-WUXBUNLRSA-N
Reference
Mucronine J, a 14-Membered Cyclopeptide Alkaloid from <i>Zizyphus mucronata</i>
PubChem CID: 23643768
LOTUS: LTS0038649
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus mucronata | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 458.6030000000002
TPSA？: 119.03000000000002
MolLogP？: 4.508900000000003
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|