rauvomitine
AlkaPlorer ID: AK002596
Synonym: '', '(-)-rauvomitine', 'rauvomitin', '(-)-Rauvomitine'
IUPAC Name: [(9R,12R,13Z,16S,17S,18R)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate
Structure
SMILES: C/C=C1\CN2C3C[C@@H]1[C@@H]1[C@@H](OC(=O)C4=CC(OC)=C(OC)C(OC)=C4)C4(C[C@@H]12)C1=CC=CC=C1N(C)[C@@H]34
InChI: InChI=1S/C30H34N2O5/c1-6-16-15-32-21-13-18(16)25-22(32)14-30(19-9-7-8-10-20(19)31(2)27(21)30)28(25)37-29(33)17-11-23(34-3)26(36-5)24(12-17)35-4/h6-12,18,21-22,25,27-28H,13-15H2,1-5H3/b16-6+/t18-,21?,22-,25-,27-,28+,30?/m0/s1
InChIKey: JHWXXJLDNKFDNH-CYDJRZLLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia vomitoria | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 502.6110000000003
TPSA？: 60.470000000000006
MolLogP？: 4.046700000000003
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|