3-oxo-voacangine
AlkaPlorer ID: AK017270
Synonym: None
IUPAC Name: None
Structure
SMILES: CCC1CC2C[C@@]3(C(=O)OC)/C4=C(/C5=CC(OC)=CC=C5N4)CCN(C2=O)C13
InChI: InChI=1S/C22H26N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19,23H,4,7-9,11H2,1-3H3/t12?,13?,19?,22-/m1/s1
InChIKey: LTQINICYLGNLHN-OWQPMBQMSA-N
Reference
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana cymosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.4600000000001
TPSA？: 71.63
MolLogP？: 2.790400000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|