None
AlkaPlorer ID: AK331785
Synonym: None
IUPAC Name: methyl (2S,3S,4S)-3-(hydroxymethyl)-2-methyl-4-(9-methylpyrido[3,4-b]indole-1-carbonyl)-3,4-dihydro-2H-pyran-5-carboxylate
Structure
SMILES: COC(=O)C1=CO[C@@H](C)[C@H](CO)[C@@H]1C(=O)C1=NC=CC2=C1N(C)C1=CC=CC=C21
InChI: InChI=1S/C22H22N2O5/c1-12-15(10-25)18(16(11-29-12)22(27)28-3)21(26)19-20-14(8-9-23-19)13-6-4-5-7-17(13)24(20)2/h4-9,11-12,15,18,25H,10H2,1-3H3/t12-,15-,18-/m0/s1
InChIKey: AHSFOHHJGMBTNA-QITLCBANSA-N
Reference
14-Ketoalstonidine and Other Alkaloidal Constituents of the Stem Bark of Alstonia constricta
PubChem CID: 183315
CAS: 111509-15-0
LOTUS: LTS0105050
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia constricta | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 394.4270000000001
TPSA？: 90.65
MolLogP？: 2.6095000000000006
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|