methyl (1R,9R,10R,13R,20S)-9-hydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁷,²⁰]henicosa-2(7),3,5,14-tetraene-10-carboxylate
AlkaPlorer ID: AK095216
Synonym: None
IUPAC Name: methyl (1R,9R,10R,13R,20S)-9-hydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5,14-tetraene-10-carboxylate
Structure
SMILES: COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@@]5(C6=CC=CC(OC)=C6N[C@]15O)[C@@H]43)C2
InChI: InChI=1S/C22H26N2O4/c1-27-15-6-3-5-14-16(15)23-22(26)20(18(25)28-2)9-8-19(13-20)7-4-11-24-12-10-21(14,22)17(19)24/h3-7,17,23,26H,8-13H2,1-2H3/t17-,19+,20-,21+,22-/m0/s1
InChIKey: SKAAIQIJEHWIFO-NDYOWHOSSA-N
Reference
Kopsifolines A‐F: A New Structural Class of Monoterpenoid Indole Alkaloids from Kopsia.
PubChem CID: 12116551
LOTUS: LTS0248770
SuperNatural Ⅲ: SN0347630-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia fruticosa | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.46000000000015
TPSA？: 71.03
MolLogP？: 2.0345
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|