4-Epiphyllanthine
AlkaPlorer ID: AK026575
Synonym: '', 'Securitinine', 'Phyllanthine'
IUPAC Name: (1S,2R,4S,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
Structure
SMILES: CO[C@H]1CCN2[C@@H]3C=CC4=CC(=O)O[C@]4(C3)[C@H]2C1
InChI: InChI=1S/C14H17NO3/c1-17-11-4-5-15-10-3-2-9-6-13(16)18-14(9,8-10)12(15)7-11/h2-3,6,10-12H,4-5,7-8H2,1H3/t10-,11+,12-,14+/m1/s1
InChIKey: YKLWRYOORWTCQQ-CZXHOFHRSA-N
Reference
Securinega Alkaloids from the Wood of <i>Securinega suffruticosa</i> var. <i>amamiensis</i>
PubChem CID: 155569275
LOTUS: LTS0086467
SuperNatural Ⅲ: SN0452841-03
NPASS: NPC298567
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Securinega suffruticosa | Securinega | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 247.29399999999995
TPSA？: 38.77
MolLogP？: 1.0298999999999998
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00142 |
| Homo sapiens | HCT-15 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00142 |
| Homo sapiens | SK-MEL-2 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00142 |
| Homo sapiens | SK-OV-3 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b00142 |
| Mus musculus | BV-2 | Activity | 107.6 | % | 10.1021/acs.jnatprod.9b00142 |
| Mus musculus | BV-2 | IC50 | 7700.0 | nM | 10.1021/acs.jnatprod.9b00142 |