2,18-dimethyl (1R,9R,16R,18S,21S)-4,5-dimethoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6-triene-2,18-dicarboxylate
AlkaPlorer ID: AK267310
Synonym: None
IUPAC Name: dimethyl (1R,9R,16R,18S,21S)-4,5-dimethoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate
Structure
SMILES: COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(C6=CC=C(OC)C(OC)=C6N(C(=O)OC)[C@]15CC2)[C@@H]43
InChI: InChI=1S/C25H32N2O6/c1-30-17-7-6-15-18(19(17)31-2)27(22(29)33-4)25-10-9-23(14-16(25)20(28)32-3)8-5-12-26-13-11-24(15,25)21(23)26/h6-7,16,21H,5,8-14H2,1-4H3/t16-,21+,23-,24-,25-/m1/s1
InChIKey: NQKHZSNXAUQSHC-XHMWRUPGSA-N
Reference
Alkaloids from Kopsia griffithii
PubChem CID: 162993664
LOTUS: LTS0047852
SuperNatural Ⅲ: SN0252489-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia griffithii | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 456.5390000000003
TPSA？: 77.54
MolLogP？: 3.108000000000001
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|