Phyllantidine
AlkaPlorer ID: AK022361
Synonym: '(-)-Phyllantidine'
IUPAC Name: (1R,2R,9R)-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one
Structure
SMILES: O=C1C=C2C=C[C@H]3C[C@]2(O1)[C@H]1CCCCN1O3
InChI: InChI=1S/C13H15NO3/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(11)17-10/h4-5,7,10-11H,1-3,6,8H2/t10-,11+,13+/m0/s1
InChIKey: CTFXYMMZXWWOFY-DMDPSCGWSA-N
Reference
Viroallosecurinine and ent-Phyllanthidine From the Leaves of Breynia coronata (Euphorbiaceae)
PubChem CID: 11988586
LOTUS: LTS0140361
SuperNatural Ⅲ: SN0054984-01
NPASS: NPC249933
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Securinega suffruticosa | Securinega | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 233.267
TPSA？: 38.77
MolLogP？: 1.3365999999999998
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 | 96.7 | % | 10.1021/acs.jnatprod.9b00142 |
| Mus musculus | BV-2 | IC50 | 12100.0 | nM | 10.1021/acs.jnatprod.9b00142 |