cochinchistemonine
AlkaPlorer ID: AK014179
Synonym: None
IUPAC Name: (1R,2S,3R,4R,5S,6R,11S)-4,6-dihydroxy-11-[(1S)-1-hydroxypropyl]-4'-methoxy-3,3'-dimethylspiro[10-azatricyclo[8.4.0.02,6]tetradecane-5,5'-furan]-2'-one
Structure
SMILES: CC[C@H](O)[C@@H]1CCC[C@@H]2[C@@H]3[C@@H](C)[C@@H](O)[C@]4(OC(=O)C(C)=C4OC)[C@@]3(O)CCCN21
InChI: InChI=1S/C22H35NO6/c1-5-16(24)14-8-6-9-15-17-12(2)18(25)22(19(28-4)13(3)20(26)29-22)21(17,27)10-7-11-23(14)15/h12,14-18,24-25,27H,5-11H2,1-4H3/t12-,14+,15-,16+,17+,18-,21-,22-/m1/s1
InChIKey: ZTDYHFFIUWALHQ-PXMOKWDTSA-N
Reference
Cochinchistemonine, a novel skeleton alkaloid from Stemona cochinchinensis
PubChem CID: 162994550
LOTUS: LTS0161543
SuperNatural Ⅲ: SN0479612-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona cochinchinensis | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 409.52300000000025
TPSA？: 99.46
MolLogP？: 1.3480999999999994
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|