Hayatinine
AlkaPlorer ID: AK000087
Synonym: '(+)-Hayatinine'
IUPAC Name: (1R,16R)-10,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaen-9-ol
Structure
SMILES: COC1=CC=C2C=C1OC1=C(OC)C=C3CCN(C)[C@H](CC4=CC=C(C=C4)OC4=C5C(=CC(OC)=C4O)CCN(C)[C@@H]5C2)C3=C1
InChI: InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)40)13-15-39(2)29(35)17-23-8-11-30(41-3)32(18-23)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m1/s1
InChIKey: MYHQIVSWYXBWOC-FQLXRVMXSA-N
Reference
Alkaloidal Variation in Cissampelos Capensis (Menispermaceae)
PubChem CID: 16637550
LOTUS: LTS0075043
SuperNatural Ⅲ: SN0238642-01
NPASS: NPC279228
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cyclea barbata | Cyclea | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.735
TPSA？: 72.86
MolLogP？: 6.859400000000009
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | ED50 | 7700.0 | nM | 10.1021/np980144f |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 128.0 | nM | 10.1021/np980144f |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 353.0 | nM | 10.1016/j.bmc.2009.02.050 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 387.0 | nM | 10.1021/np980144f |
| None | Unchecked | Selectivity Index | 20.0 | None | 10.1021/np980144f |
| None | Unchecked | Selectivity Index | 60.0 | None | 10.1021/np980144f |