Phyllantidine
AlkaPlorer ID: AK022360
Synonym: None
IUPAC Name: (1S,2S,9S)-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+/m1/s1
InChIKey: CTFXYMMZXWWOFY-MDZLAQPJSA-N
Reference
Securinega Alkaloids from the Wood of <i>Securinega suffruticosa</i> var. <i>amamiensis</i>
PubChem CID: 12314211
LOTUS: LTS0022432
SuperNatural Ⅲ: SN0054984-02
NPASS: NPC270813
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 | KB | IC50 | 5.0 | ug.mL-1 | 10.1021/np0780102 |
| Mus musculus | L1210 | IC50 | 5.0 | ug.mL-1 | 10.1021/np0780102 |