Heyneatine; 19-Epimer, demethoxy
AlkaPlorer ID: AK252697
Synonym: 3,19-Oxidocoronaridine
IUPAC Name: methyl 16-methyl-15-oxa-3,13-diazahexacyclo[11.7.1.02,10.04,9.014,19.017,21]henicosa-2(10),4,6,8-tetraene-1-carboxylate
Structure
SMILES: COC(=O)C12CC3CC4C(C)OC3N(CCC3=C1NC1=CC=CC=C31)C42
InChI: InChI=1S/C21H24N2O3/c1-11-15-9-12-10-21(20(24)25-2)17-14(13-5-3-4-6-16(13)22-17)7-8-23(18(15)21)19(12)26-11/h3-6,11-12,15,18-19,22H,7-10H2,1-2H3
InChIKey: MDHKVGLGYPUXIL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Tabernaemontana litoralis | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.434
TPSA？: 54.56
MolLogP？: 2.5900000000000007
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|