methyl (1S,2S,3S,11R,12R,14S)-12-hydroxy-13-oxo-10,16-diazaheptacyclo[9.8.2.1¹,¹².0²,¹⁶.0³,¹¹.0³,¹⁴.0⁴,⁹]docosa-4(9),5,7-triene-10-carboxylate
AlkaPlorer ID: AK584643
Synonym: None
IUPAC Name: methyl (1S,4R,12S,13S,16S,18R)-18-hydroxy-17-oxo-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-triene-5-carboxylate
Structure
SMILES: COC(=O)N1C2=CC=CC=C2[C@]23[C@H]4CN5CCC[C@@]6(CC[C@@]12[C@](O)(C6)C4=O)[C@H]53
InChI: InChI=1S/C22H24N2O4/c1-28-18(26)24-15-6-3-2-5-13(15)22-14-11-23-10-4-7-19(17(22)23)8-9-21(22,24)20(27,12-19)16(14)25/h2-3,5-6,14,17,27H,4,7-12H2,1H3/t14-,17-,19-,20-,21-,22+/m0/s1
InChIKey: YROYAGSZNDUMIF-FCGMOTLLSA-N
Reference
4. Alkaloids of Kopsia species. Part I. Kopsine, fruticosamine, and fruticosine
PubChem CID: 163194769
LOTUS: LTS0255701
SuperNatural Ⅲ: SN0458412-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia fruticosa | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 380.4440000000002
TPSA？: 70.08000000000001
MolLogP？: 1.8415
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|