paxdaphnine A
AlkaPlorer ID: AK140265
Synonym: None
IUPAC Name: methyl (1S,4R,7S,8S,10R,11R,12R,16S)-7-ethyl-2-oxa-14-azaheptacyclo[9.7.2.01,12.04,8.04,16.07,14.08,12]icosane-10-carboxylate
Structure
SMILES: CC[C@@]12CC[C@@]34CO[C@@]56CC[C@@H]3CN1C[C@]51[C@H](CC6)[C@H](C(=O)OC)C[C@@]421
InChI: InChI=1S/C22H31NO3/c1-3-19-9-8-18-13-26-20-6-4-14(18)11-23(19)12-21(20)16(5-7-20)15(17(24)25-2)10-22(18,19)21/h14-16H,3-13H2,1-2H3/t14-,15-,16-,18-,19+,20-,21+,22-/m1/s1
InChIKey: GUZFWJSFDMIBBS-YGEKAIPGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aralia cordata | Aralia | Araliaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Melilotus officinalis | Melilotus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Neocheiropteris palmatopedata | Neocheiropteris | Polypodiaceae | Polypodiales | Polypodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.49400000000014
TPSA？: 38.77
MolLogP？: 2.9993000000000016
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|