Zizyphine A
AlkaPlorer ID: AK027021
Synonym: '', 'Zizyphine A'
IUPAC Name: (2S,3S)-2-(dimethylamino)-N-[(2S,3S)-1-[(3S,7S,13S,16Z)-19-methoxy-8,14-dioxo-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(20),16,18,21-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C)C(=O)N1CC[C@@H]2OC3=CC=C(/C=C\NC(=O)[C@@H]4CCCN4C(=O)[C@H]21)C(OC)=C3
InChI: InChI=1S/C33H49N5O6/c1-8-20(3)27(35-31(40)28(36(5)6)21(4)9-2)32(41)38-18-15-25-29(38)33(42)37-17-10-11-24(37)30(39)34-16-14-22-12-13-23(44-25)19-26(22)43-7/h12-14,16,19-21,24-25,27-29H,8-11,15,17-18H2,1-7H3,(H,34,39)(H,35,40)/b16-14-/t20-,21-,24-,25-,27-,28-,29-/m0/s1
InChIKey: NXCUAFMNFVTKHA-YEEQOOFQSA-N
Reference
Cyclopeptide alkaloids from Zizyphus jujuba
PubChem CID: 6324833
CAS: 51059-42-8
LOTUS: LTS0044570
NPASS: NPC167038
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus jujuba | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 611.7840000000002
TPSA？: 120.52000000000002
MolLogP？: 2.6422000000000034
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|