Kopsan-22-one
AlkaPlorer ID: AK106402
Synonym: '22-Oxokopsan', 'Kopsanone'
IUPAC Name: (1R,4R,12R,13S,16R,18R)-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-trien-17-one
Structure
SMILES: O=C1[C@H]2CN3CCC[C@]45CC[C@@]6(NC7=CC=CC=C7[C@@]26[C@@H]34)[C@H]1C5
InChI: InChI=1S/C20H22N2O/c23-16-13-10-18-6-3-9-22-11-14(16)20(17(18)22)12-4-1-2-5-15(12)21-19(13,20)8-7-18/h1-2,4-5,13-14,17,21H,3,6-11H2/t13-,14+,17-,18+,19+,20-/m0/s1
InChIKey: RFDVSXYPLPEIGZ-ZLARMEDBSA-N
Reference
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
PubChem CID: 101289843
LOTUS: LTS0133359
SuperNatural Ⅲ: SN0323669-03
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia arborea | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 306.40900000000005
TPSA？: 32.34
MolLogP？: 2.565700000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|