Deacetylcathovaline
AlkaPlorer ID: AK114592
Synonym: ''
IUPAC Name: methyl (1R,9R,10S,11S,12R,13R,19R)-12-ethyl-11-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: CC[C@@]12[C@H](O)[C@@]3(C(=O)OC)O[C@@H]1CCN1CC[C@@]4(C5=CC=CC=C5N(C)[C@@H]34)[C@@H]12
InChI: InChI=1S/C22H28N2O4/c1-4-20-15-9-11-24-12-10-21(16(20)24)13-7-5-6-8-14(13)23(2)17(21)22(28-15,18(20)25)19(26)27-3/h5-8,15-18,25H,4,9-12H2,1-3H3/t15-,16+,17-,18+,20-,21-,22+/m1/s1
InChIKey: ZMOKWLVFLGBZQY-QAMGIAFZSA-N
Reference
Alcaloïdes mono-indoliques de Catharanthus ovalis
PubChem CID: 162873025
LOTUS: LTS0271772
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus ovalis | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.476
TPSA？: 62.24000000000001
MolLogP？: 1.3022999999999991
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|