4-Epiphyllanthine
AlkaPlorer ID: AK026574
Synonym: '', 'Securitinine', 'Phyllanthine'
IUPAC Name: (1S,2R,4R,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-BYNQJWBRSA-N
Reference
Simplexine (14-hydroxy-4-methoxy-13,14-dihydronorsecurinine): An alkaloid from Phyllanthus simplex
PubChem CID: 10868614
LOTUS: LTS0097763
SuperNatural Ⅲ: SN0452841-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Margaritaria indica | Margaritaria | 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 |
|---|