methyl (4S,5S,6S)-5-(hydroxymethyl)-6-methyl-4-({9-methylpyrido[3,4-b]indol-1-yl}methyl)-5,6-dihydro-4H-pyran-3-carboxylate
AlkaPlorer ID: AK240561
Synonym: None
IUPAC Name: methyl (2S,3S,4S)-3-(hydroxymethyl)-2-methyl-4-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxylate
Structure
SMILES: COC(=O)C1=CO[C@@H](C)[C@H](CO)[C@@H]1CC1=NC=CC2=C1N(C)C1=CC=CC=C21
InChI: InChI=1S/C22H24N2O4/c1-13-17(11-25)16(18(12-28-13)22(26)27-3)10-19-21-15(8-9-23-19)14-6-4-5-7-20(14)24(21)2/h4-9,12-13,16-17,25H,10-11H2,1-3H3/t13-,16-,17-/m0/s1
InChIKey: ZHSWZGYEMVSUSM-JQFCIGGWSA-N
Reference
Some alkaloids of Alstonia undulata
PubChem CID: 12305773
CAS: 25394-75-6
LOTUS: LTS0102336
SuperNatural Ⅲ: SN0470700-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia constricta | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 380.4440000000001
TPSA？: 73.58000000000001
MolLogP？: 2.9693000000000014
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|