Villalstonine
AlkaPlorer ID: AK007025
Synonym: '(+)-Villalstonine'
IUPAC Name: methyl (1R,3S,4S,6S,17S,18S,21R,23R,24S,27E,28S,29R)-27-ethylidene-8,21,40-trimethyl-20,22-dioxa-8,25,30,40-tetrazaundecacyclo[23.11.2.16,17.124,28.01,23.03,21.04,18.07,15.09,14.023,30.031,36]tetraconta-7(15),9,11,13,31,33,35-heptaene-29-carboxylate
Structure
SMILES: C/C=C1/CN2CC[C@@]34C[C@H]5[C@H]6C[C@H]7C8=C(C[C@@H]([C@H]6CO[C@]5(C)O[C@@]35[C@@H]2C[C@@H]1[C@H](C(=O)OC)N5C1=CC=CC=C14)N7C)C1=CC=CC=C1N8C
InChI: InChI=1S/C41H48N4O4/c1-6-23-21-44-16-15-40-20-30-26-17-34-36-27(24-11-7-9-13-31(24)43(36)4)18-33(42(34)3)28(26)22-48-39(30,2)49-41(40)35(44)19-25(23)37(38(46)47-5)45(41)32-14-10-8-12-29(32)40/h6-14,25-26,28,30,33-35,37H,15-22H2,1-5H3/b23-6-/t25-,26-,28-,30-,33-,34-,35-,37+,39+,40-,41-/m0/s1
InChIKey: XXNYZYBYNFRERU-DIUDGSACSA-N
Reference
Alstophyllin, ein neues Indolalkaloid aus <i>Alstonia macrophylla</i> W<scp>ALL</scp>
PubChem CID: 163053122
LOTUS: LTS0164234
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia angustifolia | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 660.859
TPSA？: 59.41
MolLogP？: 5.5449000000000055
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|