Voacangine; 19S-Hydroxy, O-de-Me
AlkaPlorer ID: AK317800
Synonym: 10-Hydroxyheyneanine
IUPAC Name: methyl 7-hydroxy-17-(1-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: COC(=O)C12CC3CC(C(C)O)C1N(CCC1=C2NC2=CC=C(O)C=C12)C3
InChI: InChI=1S/C21H26N2O4/c1-11(24)15-7-12-9-21(20(26)27-2)18-14(5-6-23(10-12)19(15)21)16-8-13(25)3-4-17(16)22-18/h3-4,8,11-12,15,19,22,24-25H,5-7,9-10H2,1-2H3
InChIKey: IEUHGCGGKJVFFN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Tabernanthe | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Anartia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Ervatamia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 370.44900000000007
TPSA？: 85.79
MolLogP？: 1.9315999999999995
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|