Cathovaline; 14ξ-Hydroxy
AlkaPlorer ID: AK291827
Synonym: 14-Hydroxycathovaline
IUPAC Name: methyl 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)(C4N(C)C5=CC=CC=C5C45CCN(CC3O)C51)C2OC(C)=O
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
InChIKey: GUGWEFILCHULQR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus ovalis | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 442.5120000000003
TPSA？: 88.54000000000002
MolLogP？: 0.8438999999999997
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|