methyl (1R,9R,15S,16S,18S,21S)-15-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6-triene-18-carboxylate
AlkaPlorer ID: AK037760
Synonym: None
IUPAC Name: methyl (1R,9R,15S,16S,18S,21S)-15-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Structure
SMILES: COC(=O)[C@H]1C[C@]23CC[C@@]14NC1=CC=CC=C1[C@@]41CCN(CC[C@@H]2O)[C@H]31
InChI: InChI=1S/C21H26N2O3/c1-26-17(25)14-12-19-7-8-21(14)20(13-4-2-3-5-15(13)22-21)9-11-23(18(19)20)10-6-16(19)24/h2-5,14,16,18,22,24H,6-12H2,1H3/t14-,16+,18-,19-,20-,21-/m1/s1
InChIKey: RZPUAAQUCIOUBB-REGGBKMVSA-N
Reference
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
PubChem CID: 162922008
LOTUS: LTS0217494
SuperNatural Ⅲ: SN0339544-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia fruticosa | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45000000000016
TPSA？: 61.8
MolLogP？: 1.9007
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|