paxdaphnine B
AlkaPlorer ID: AK140267
Synonym: None
IUPAC Name: methyl (1R,2R,5S,8S,14R,15R)-5-ethyl-2-(hydroxymethyl)-6-azapentacyclo[9.5.1.01,5.02,8.014,17]heptadec-11(17)-ene-15-carboxylate
Structure
SMILES: CC[C@]12CC[C@@]3(CO)[C@H](CCC4=C5[C@H](CC4)[C@H](C(=O)OC)C[C@]513)CN2
InChI: InChI=1S/C21H31NO3/c1-3-20-9-8-19(12-23)14(11-22-20)6-4-13-5-7-15-16(18(24)25-2)10-21(19,20)17(13)15/h14-16,22-23H,3-12H2,1-2H3/t14-,15-,16-,19-,20+,21-/m1/s1
InChIKey: PVFLFYKRSJZKAK-IXLSQNRCSA-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: 345.48300000000006
TPSA？: 58.56
MolLogP？: 2.806800000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|