Iboxyphylline
AlkaPlorer ID: AK302263
Synonym: Methyl 2,3-didehydro-7-hydroxy-8-methyl-E-homo-20,21-dinoraspidospermidine-3-carboxylate
IUPAC Name: methyl 14-hydroxy-15-methyl-8,17-diazapentacyclo[10.7.1.01,9.02,7.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2CC(C)C(O)CC(C1)C23
InChI: InChI=1S/C21H26N2O3/c1-12-11-23-8-7-21-15-5-3-4-6-16(15)22-18(21)14(20(25)26-2)9-13(19(21)23)10-17(12)24/h3-6,12-13,17,19,22,24H,7-11H2,1-2H3
InChIKey: LHNRZSVXQWMCJY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Tabernanthe | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Tabernanthe iboga | Tabernanthe | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.4500000000001
TPSA？: 61.8
MolLogP？: 2.2719000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|