2,18-dimethyl (1R,9R,16R,18S,21S)-5-hydroxy-4-methoxy-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: AK250170
Synonym: None
IUPAC Name: dimethyl (1R,9R,16R,18S,21S)-5-hydroxy-4-methoxy-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(O)C(OC)=C6N(C(=O)OC)[C@]15CC2)[C@@H]43
InChI: InChI=1S/C24H30N2O6/c1-30-18-16(27)6-5-14-17(18)26(21(29)32-3)24-9-8-22(13-15(24)19(28)31-2)7-4-11-25-12-10-23(14,24)20(22)25/h5-6,15,20,27H,4,7-13H2,1-3H3/t15-,20+,22-,23-,24-/m1/s1
InChIKey: UTIOUQOTYHBCTG-ZWIVDWJQSA-N
Reference
Alkaloids from Kopsia griffithii
PubChem CID: 163011844
LOTUS: LTS0052958
SuperNatural Ⅲ: SN0379580-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia griffithii | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 442.5120000000003
TPSA？: 88.54
MolLogP？: 2.8050000000000006
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|