6-Oxocoronaridine
AlkaPlorer ID: AK008393
Synonym: ''
IUPAC Name: methyl (1S,15R,17S,18S)-17-ethyl-11-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Structure
SMILES: CC[C@H]1C[C@H]2CN3CC(=O)C4=C(NC5=CC=CC=C45)[C@](C(=O)OC)(C2)[C@H]13
InChI: InChI=1S/C21H24N2O3/c1-3-13-8-12-9-21(20(25)26-2)18-17(14-6-4-5-7-15(14)22-18)16(24)11-23(10-12)19(13)21/h4-7,12-13,19,22H,3,8-11H2,1-2H3/t12-,13+,19+,21-/m1/s1
InChIKey: VSLLJAVWJJTDAN-YDBSYXHISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana divaricata | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.4340000000002
TPSA？: 62.400000000000006
MolLogP？: 2.8954000000000013
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|