3-oxo-7R-coronaridine hydroxyindolenine
AlkaPlorer ID: AK001423
Synonym: None
IUPAC Name: acetonitrile;methyl (1S,10R,15R,17S,18S)-17-ethyl-10-hydroxy-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4,6,8-tetraene-1-carboxylate
Structure
SMILES: CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2=O)CC[C@@]4(C3=NC5=CC=CC=C54)O)C(=O)OC.CC#N
InChI: InChI=1S/C21H24N2O4.C2H3N/c1-3-12-10-13-11-20(19(25)27-2)16(12)23(17(13)24)9-8-21(26)14-6-4-5-7-15(14)22-18(20)21;1-2-3/h4-7,12-13,16,26H,3,8-11H2,1-2H3;1H3/t12-,13+,16-,20-,21+;/m0./s1
InChIKey: HZEYLQAZFQOFEK-LELYCQBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana bufalina | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 409.48600000000016
TPSA？: 102.99000000000001
MolLogP？: 2.700280000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|