methyl (1S,9R,16S,21S)-4-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6,14,17-pentaene-18-carboxylate
AlkaPlorer ID: AK024301
Synonym: None
IUPAC Name: methyl (1S,9R,16S,21S)-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,14,17-pentaene-18-carboxylate
Structure
SMILES: COC(=O)C1=C[C@@]23C=CCN4CC[C@@]5(C6=CC=CC(OC)=C6N[C@]15CC2)[C@@H]43
InChI: InChI=1S/C22H24N2O3/c1-26-16-6-3-5-14-17(16)23-22-9-8-20(13-15(22)18(25)27-2)7-4-11-24-12-10-21(14,22)19(20)24/h3-7,13,19,23H,8-12H2,1-2H3/t19-,20+,21+,22+/m0/s1
InChIKey: ODBHRWMYWUAHLS-DXBBTUNJSA-N
Reference
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
PubChem CID: 21579239
LOTUS: LTS0025583
SuperNatural Ⅲ: SN0262133-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia fruticosa | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 364.4450000000001
TPSA？: 50.8
MolLogP？: 2.6346000000000007
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|