Alstovine
AlkaPlorer ID: AK199542
Synonym: ''
IUPAC Name: methyl (1R,11R,12R,17S)-12-hydroxy-12-[(1S)-1-hydroxyethyl]-5-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC(OC)=CC=C3[C@@]23CCN2C[C@@](O)([C@H](C)O)[C@@H]1C[C@H]23
InChI: InChI=1S/C21H26N2O5/c1-11(24)21(26)10-23-7-6-20-13-5-4-12(27-2)8-15(13)22-18(20)17(19(25)28-3)14(21)9-16(20)23/h4-5,8,11,14,16,22,24,26H,6-7,9-10H2,1-3H3/t11-,14+,16-,20+,21+/m0/s1
InChIKey: NFIFPWIZYHMYPQ-YVPYWHSZSA-N
Reference
Alkaloids from Alstonia angustifolia
PubChem CID: 162844767
LOTUS: LTS0031965
SuperNatural Ⅲ: SN0243979-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia vitiensis | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 386.4480000000001
TPSA？: 91.26
MolLogP？: 1.0052999999999996
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|