3-Oxotabersonine; 14,15-Dihydro
AlkaPlorer ID: AK309080
Synonym: 3-Oxovincadifformine
IUPAC Name: methyl 12-ethyl-15-oxo-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: CCC12CCC(=O)N3CCC4(C(=C(C(=O)OC)C1)NC1=CC=CC=C14)C32
InChI: InChI=1S/C21H24N2O3/c1-3-20-9-8-16(24)23-11-10-21(19(20)23)14-6-4-5-7-15(14)22-17(21)13(12-20)18(25)26-2/h4-7,19,22H,3,8-12H2,1-2H3
InChIKey: OQLYVMALDCKIQD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Stemmadenia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.434
TPSA？: 58.64
MolLogP？: 2.971800000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|