methyl (1R,9R,10R,11R,12R,13R,14S,19S)-11-(acetyloxy)-12-ethyl-14-hydroxy-8-methyl-20-oxa-8,16-diazahexacyclo[10.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁶,¹⁹]icosa-2(7),3,5-triene-10-carboxylate
AlkaPlorer ID: AK393189
Synonym: None
IUPAC Name: methyl (1R,9R,11S,14S,19R)-11-acetyloxy-12-ethyl-14-hydroxy-8-methyl-20-oxa-8,16-diazahexacyclo[10.6.1.110,13.01,9.02,7.016,19]icosa-2,4,6-triene-10-carboxylate
Structure
SMILES: CCC12C3OC(C(=O)OC)([C@H]1OC(C)=O)[C@@H]1N(C)C4=CC=CC=C4[C@@]14CCN(C[C@@H]3O)[C@@H]24
InChI: InChI=1S/C24H30N2O6/c1-5-22-17-16(28)12-26-11-10-23(18(22)26)14-8-6-7-9-15(14)25(3)19(23)24(32-17,21(29)30-4)20(22)31-13(2)27/h6-9,16-20,28H,5,10-12H2,1-4H3/t16-,17?,18-,19+,20-,22?,23+,24?/m0/s1
InChIKey: GUGWEFILCHULQR-KXNSEQTKSA-N
Reference
Alcaloïdes mono-indoliques de Catharanthus ovalis
PubChem CID: 163187996
LOTUS: LTS0017706
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus ovalis | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 442.5120000000002
TPSA？: 88.54
MolLogP？: 0.8439000000000005
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|