Heyneanin
AlkaPlorer ID: AK318885
Synonym: None
IUPAC Name: methyl 17-(1-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Structure
SMILES: COC(=O)C12CC3CC(C(C)O)C1N(CCC1=C2NC2=CC=CC=C12)C3
InChI: InChI=1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3
InChIKey: VGDQBNXQAOYMPS-UHFFFAOYSA-N
Reference
20-Epiheyneanine, an iboga alkaloid from Peschiera affinis
PubChem CID: 432336
CAS: 57511-56-5
LOTUS: LTS0074735
NPASS: NPC187357
COCONUT: CNP0260951.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana bufalina | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45000000000005
TPSA？: 65.56
MolLogP？: 2.226
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|