methyl (1R,9S,10S,12S,13R,16S,17R,18R)-18-hydroxy-13-[(1S)-1-hydroxyethyl]-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2(7),3,5-triene-17-carboxylate
AlkaPlorer ID: AK476116
Synonym: None
IUPAC Name: methyl 18-hydroxy-13-(1-hydroxyethyl)-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
Structure
SMILES: COC(=O)C12C3CC4C5N(C)C6=CC=CC=C6C5(CC1N4CC3C(C)O)C2O
InChI: InChI=1S/C22H28N2O4/c1-11(25)12-10-24-16-8-14(12)22(20(27)28-3)17(24)9-21(19(22)26)13-6-4-5-7-15(13)23(2)18(16)21/h4-7,11-12,14,16-19,25-26H,8-10H2,1-3H3
InChIKey: OEGZONSWPCBTKS-UHFFFAOYSA-N
Reference
Alkaloids of Alstonia macrophylla
PubChem CID: 163009473
CAS: 108195-74-0
LOTUS: LTS0159243
COCONUT: CNP0284403.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.47600000000006
TPSA？: 73.24000000000001
MolLogP？: 0.7500999999999998
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|