Bubbialine; (+)-form, 2-Epimer
AlkaPlorer ID: AK039571
Synonym: 'Bubbialine; (+)-form, 7-Epimer'
IUPAC Name: (1S,2S,7R,14R)-14-hydroxy-12-oxa-6-azatetracyclo[5.5.2.01,9.02,6]tetradec-9-en-11-one
Structure
SMILES: O=C1C=C2C[C@@H]3[C@H](O)C[C@@]2(O1)[C@@H]1CCCN31
InChI: InChI=1S/C12H15NO3/c14-9-6-12-7(5-11(15)16-12)4-8(9)13-3-1-2-10(12)13/h5,8-10,14H,1-4,6H2/t8-,9-,10+,12+/m1/s1
InChIKey: LXHGRIAYJAHNHR-SVDPJWKOSA-N
Reference
Two securinega-type alkaloids from Phyllanthus amarus
PubChem CID: 162851224
LOTUS: LTS0066312
SuperNatural Ⅲ: SN0217934-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phyllanthus niruri | Phyllanthus | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 221.256
TPSA？: 49.77
MolLogP？: 0.2096999999999997
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|