stemokerrine
AlkaPlorer ID: AK053474
Synonym: '', 'stemokerrin', 'Stemokerrine'
IUPAC Name: (5E)-5-[(1S,2R,3S,11S)-11-[(1R)-1-hydroxypropyl]-3-methyl-5-oxa-10-azatricyclo[8.4.0.02,6]tetradec-6-en-4-ylidene]-4-methoxy-3-methylfuran-2-one
Structure
SMILES: CC[C@@H](O)[C@@H]1CCC[C@H]2[C@@H]3C(=CCCN21)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C
InChI: InChI=1S/C22H31NO5/c1-5-16(24)14-8-6-9-15-18-12(2)20(27-17(18)10-7-11-23(14)15)21-19(26-4)13(3)22(25)28-21/h10,12,14-16,18,24H,5-9,11H2,1-4H3/b21-20+/t12-,14-,15-,16+,18+/m0/s1
InChIKey: KLADGQYNEYECIT-CBGPKJLQSA-N
Reference
Insecticidal pyrido[1,2-a]azepine alkaloids and related derivatives from Stemona species
PubChem CID: 162974133
LOTUS: LTS0010981
SuperNatural Ⅲ: SN0188505-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona kerrii | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 389.4920000000002
TPSA？: 68.23
MolLogP？: 3.239300000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|