Isocalycanthine
AlkaPlorer ID: AK092687
Synonym: ''
IUPAC Name: (1S,9R,13S,21R)-10,22-dimethyl-8,10,20,22-tetrazahexacyclo[11.11.0.01,21.02,7.09,13.014,19]tetracosa-2,4,6,14,16,18-hexaene
Structure
SMILES: CN1CC[C@]23C4=CC=CC=C4N[C@@H]4N(C)CC[C@@]42C2=CC=CC=C2N[C@H]13
InChI: InChI=1S/C22H26N4/c1-25-13-11-21-15-7-3-6-10-18(15)24-20-22(21,12-14-26(20)2)16-8-4-5-9-17(16)23-19(21)25/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
InChIKey: AFBDVRJGYHDJDS-GXRSIYKFSA-N
Reference
Two new tryptamine-derived alkaloids from Chimonanthus praecox f. concolor
PubChem CID: 102179239
LOTUS: LTS0244110
SuperNatural Ⅲ: SN0003914-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chimonanthus praecox | Chimonanthus | 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 |
|---|