methyl 16-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8-tetraene-19-carboxylate
AlkaPlorer ID: AK085573
Synonym: None
IUPAC Name: methyl (1S,15R,16R,19R,20S)-16-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxylate
Structure
SMILES: COC(=O)[C@H]1CO[C@@](C)(O)[C@H]2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@H]12
InChI: InChI=1S/C21H26N2O4/c1-21(25)16-10-23-8-7-13-12-5-3-4-6-17(12)22-19(13)18(23)9-14(16)15(11-27-21)20(24)26-2/h3-6,14-16,18,22,25H,7-11H2,1-2H3/t14-,15+,16+,18+,21-/m1/s1
InChIKey: VMUNRKIMYNVTQO-IYWYGFBWSA-N
Reference
New Indole Alkaloids from <i>Alstonia macrophylla</i>
PubChem CID: 5318152
LOTUS: LTS0014536
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amsonia elliptica | Amsonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 370.44900000000007
TPSA？: 74.79
MolLogP？: 2.2311
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|