Kopsijasminine
AlkaPlorer ID: AK007336
Synonym: None
IUPAC Name: methyl (1S,9R,16R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,17-tetraene-18-carboxylate
Structure
SMILES: COC(=O)C1=C[C@]23CCCN4[C@@H]2[C@@]5([C@]1(CC3)NC6=CC=CC=C65)CC4
InChI: InChI=1S/C21H24N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,13,18,22H,4,7-12H2,1H3/t18-,19+,20+,21+/m0/s1
InChIKey: TWIOZZYFVQAUFH-DOIPELPJSA-N
Reference
Leuconoxine, Kopsinitarine, Kopsijasmine, and Kopsinone Derivatives from Kopsia
PubChem CID: 23626484
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 336.4350000000001
TPSA？: 41.57
MolLogP？: 2.8500000000000014
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 38700.0 | nM | 10.1021/np0701778 |