calycanthine
AlkaPlorer ID: AK010146
Synonym: '', 'Calycanthine', '(1S,2R,10S,11R)-21,24-dimethyl-3,12,21,24-tetraazahexacyclo9.7.3.3(2,10).0(1,10).0(4,9).0(13,18)tetracosa-4,6,8,13,15,17-hexaene', '(+)-Calycanthine', 'MLSMR', 'MLS000728639', 'SMR000470815', '(-)-Calycanthine'
IUPAC Name: (1S,2S,10R,11R)-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
Structure
SMILES: CN1CC[C@]23C4=CC=CC=C4N[C@H]1[C@@]21CCN(C)[C@@H]3NC2=CC=CC=C21
InChI: InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20+,21+,22-
InChIKey: XSYCDVWYEVUDKQ-ZDNVTZCJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asclepias curassavica | Asclepias | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Calycanthus floridus | Calycanthus | Calycanthaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 346.478
TPSA？: 30.54
MolLogP？: 3.036600000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|