4-hydroxy-5-methoxy-9λ⁵-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-9-ylium-14-olate
AlkaPlorer ID: AK429425
Synonym: None
IUPAC Name: 14-hydroxy-5-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,5,7,12(16),13-hexaen-4-one
Structure
SMILES: COC1=CC2=C[N+]3=C4C(=CC([O-])=CC4=C2C=C1O)CC3
InChI: InChI=1S/C16H13NO3/c1-20-15-5-10-8-17-3-2-9-4-11(18)6-13(16(9)17)12(10)7-14(15)19/h4-8,18H,2-3H2,1H3
InChIKey: KAEIXCUGLNXMQA-UHFFFAOYSA-N
Reference
Alkaloids of zephyranthes flava
PubChem CID: 101630512
LOTUS: LTS0216194
SuperNatural Ⅲ: SN0180110
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pancratium maritimum | Pancratium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 267.284
TPSA？: 56.400000000000006
MolLogP？: 1.6243999999999998
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Flavobacterium columnare | Flavobacterium columnare | MIC | 10000.0 | nM | 10.1016/j.bmcl.2017.09.052 |
| Flavobacterium columnare | Flavobacterium columnare | MIC | 100000.0 | nM | 10.1016/j.bmcl.2017.09.052 |
| Leishmania donovani | Leishmania donovani | IC50 | 30.0 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 30.0 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 30.0 | ug.mL-1 | 10.1016/j.bmcl.2019.126642 |