methyl (1R,10R,13R,20S)-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁷,²⁰]henicosa-2(7),3,5,8,14-pentaene-10-carboxylate
AlkaPlorer ID: AK061562
Synonym: None
IUPAC Name: methyl (1R,10R,13R,20S)-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,8,14-pentaene-10-carboxylate
Structure
SMILES: COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@]5(C1=NC1=CC=CC=C15)[C@@H]43)C2
InChI: InChI=1S/C21H22N2O2/c1-25-18(24)20-9-8-19(13-20)7-4-11-23-12-10-21(17(19)23)14-5-2-3-6-15(14)22-16(20)21/h2-7,17H,8-13H2,1H3/t17-,19+,20+,21-/m0/s1
InChIKey: NHBNAZNATVTUSA-KCLUMXDGSA-N
Reference
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
PubChem CID: 12116554
LOTUS: LTS0183020
SuperNatural Ⅲ: SN0245326-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia fruticosa | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 334.41900000000004
TPSA？: 41.9
MolLogP？: 2.9979000000000013
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|