Daphnine
AlkaPlorer ID: AK294369
Synonym: None
IUPAC Name: 32,39-dimethoxy-9,27-dimethyl-2,15,17,20-tetraoxa-9,27-diazaoctacyclo[24.6.2.23,6.221,24.112,19.05,10.014,18.030,34]nonatriaconta-1(32),3(39),5(10),6(38),12,14(18),19(37),21,23,25,28,30,33,35-tetradecaen-4-one
Structure
SMILES: COC1=C2OC3=C(OC)C=C4C=CN(C)C(=CC5=CC=C(C=C5)OC5=C6OCOC6=CC(=C5)CC5=C(C2=O)C(=C1)CCN5C)C4=C3
InChI: InChI=1S/C37H32N2O7/c1-38-11-9-23-17-29(41-3)30-19-26(23)27(38)13-21-5-7-25(8-6-21)45-33-16-22(15-32-36(33)44-20-43-32)14-28-34-24(10-12-39(28)2)18-31(42-4)37(46-30)35(34)40/h5-9,11,13,15-19H,10,12,14,20H2,1-4H3
InChIKey: XAJNVBMWCKYWIM-UHFFFAOYSA-N
Reference
Alkaloids of Daphnandra dielsii. II. Daphnine. Isolation and Characterization
PubChem CID: 163194681
CAS: 80531-83-5
LOTUS: LTS0055765
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphnandra repandula | Daphnandra | Atherospermataceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 616.6700000000002
TPSA？: 78.92999999999999
MolLogP？: 6.522000000000007
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|