methyl (1S,4S,15R,16R,21S,24R)-21-hydroxy-23-oxo-8,10-dioxa-5,18-diazaheptacyclo[14.5.2.1¹,¹⁵.0⁴,¹⁵.0⁶,¹⁴.0⁷,¹¹.0¹⁸,²⁴]tetracosa-6(14),7(11),12-triene-4-carboxylate
AlkaPlorer ID: AK080730
Synonym: None
IUPAC Name: methyl (1S,4S,15R,16R,19R,22S)-22-hydroxy-20-oxo-8,10-dioxa-5,17-diazaheptacyclo[15.4.3.01,16.04,15.06,14.07,11.015,19]tetracosa-6(14),7(11),12-triene-4-carboxylate
Structure
SMILES: COC(=O)[C@]12CC[C@@]34CC(=O)[C@H]5CN(CC[C@@H]3O)[C@@H]4[C@]51C1=CC=C3OCOC3=C1N2
InChI: InChI=1S/C22H24N2O6/c1-28-19(27)21-6-5-20-8-13(25)12-9-24(7-4-15(20)26)18(20)22(12,21)11-2-3-14-17(16(11)23-21)30-10-29-14/h2-3,12,15,18,23,26H,4-10H2,1H3/t12-,15+,18+,20-,21-,22+/m1/s1
InChIKey: GFMJIBZTXMWGAU-NBZNWSEZSA-N
Reference
Methyl chanofruticosinate alkaloids from Kopsia arborea
PubChem CID: 162987016
LOTUS: LTS0043435
SuperNatural Ⅲ: SN0104308-01
NPASS: NPC116965
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Robinia pseudoacacia | Robinia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lecocarpus pinnatifidus | Lecocarpus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 412.4420000000002
TPSA？: 97.33
MolLogP？: 0.8083999999999993
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|