Pancratinine A
AlkaPlorer ID: AK034864
Synonym: 'pancratinine A', '(+)-Pancratinine A'
IUPAC Name: (2R,3R,9S,10R)-2,9-dihydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
Structure
SMILES: CN1CCC2=C[C@H](O)[C@H]3OC(=O)C4=CC5=C(C=C4[C@@]3(O)[C@@H]21)OCO5
InChI: InChI=1S/C17H17NO6/c1-18-3-2-8-4-11(19)15-17(21,14(8)18)10-6-13-12(22-7-23-13)5-9(10)16(20)24-15/h4-6,11,14-15,19,21H,2-3,7H2,1H3/t11-,14+,15+,17+/m0/s1
InChIKey: SFXPHQQLLAZNSN-LDXOSZSPSA-N
Reference
<i>Pancratium canariense</i> as an Important Source of Amaryllidaceae Alkaloids
PubChem CID: 25208285
LOTUS: LTS0133106
SuperNatural Ⅲ: SN0344412-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pancratium canariense | Pancratium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.324
TPSA？: 88.46000000000001
MolLogP？: 0.1468999999999997
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 60400.0 | nM | 10.1016/j.ejmech.2013.03.018 |