nigragillin
AlkaPlorer ID: AK072974
Synonym: 'Nigragilline'
IUPAC Name: (2E,4E)-1-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one
Structure
SMILES: C/C=C/C=C/C(=O)N1C[C@H](C)N(C)C[C@H]1C
InChI: InChI=1S/C13H22N2O/c1-5-6-7-8-13(16)15-10-11(2)14(4)9-12(15)3/h5-8,11-12H,9-10H2,1-4H3/b6-5+,8-7+/t11-,12+/m0/s1
InChIKey: DVCNHRTYSUTLOS-OJRXFFSMSA-N
Reference
Cytotoxic Alkaloids from the Whole Plants of <i>Zephyranthes candida</i>
PubChem CID: 15939563
LOTUS: LTS0074439
SuperNatural Ⅲ: SN0076287-06
NPASS: NPC302727
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zephyranthes candida | Zephyranthes | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aspergillus awamori | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Aspergillus niger | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 222.332
TPSA？: 23.550000000000004
MolLogP？: 1.6697000000000002
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|