Repanduline
AlkaPlorer ID: AK143748
Synonym: ''
IUPAC Name: (12R,20S,31S)-18-methoxy-13,30-dimethyl-2,5,7,22,39-pentaoxa-13,30-diazanonacyclo[31.2.2.13,10.112,16.120,24.123,27.04,8.026,31.020,40]hentetraconta-1(35),3(41),4(8),9,16(40),17,23,25,27(38),33,36-undecaen-19-one
Structure
SMILES: COC1=CC2=C3[C@@H](CC4=CC(=C5OCOC5=C4)OC4=CC=C(C=C4)C[C@H]4C5=CC6=C(C=C5CCN4C)OC[C@]3(O6)C1=O)N(C)CC2
InChI: InChI=1S/C37H36N2O7/c1-38-10-8-23-16-29-30-18-26(23)27(38)12-21-4-6-25(7-5-21)45-32-15-22(14-31-35(32)44-20-43-31)13-28-34-24(9-11-39(28)2)17-33(41-3)36(40)37(34,46-30)19-42-29/h4-7,14-18,27-28H,8-13,19-20H2,1-3H3/t27-,28+,37+/m0/s1
InChIKey: ZJPDWMDHODYSGY-DFSMTXOASA-N
Reference
139. Alkaloids of Daphnandra species. Part IV. Observations on repanduline
PubChem CID: 97045383
LOTUS: LTS0076249
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphnandra repandula | Daphnandra | Atherospermataceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 620.7020000000001
TPSA？: 78.92999999999999
MolLogP？: 5.159100000000005
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|