Pukateine; (R)-form, β-N-Oxide
AlkaPlorer ID: AK311626
Synonym: Laurepukine
IUPAC Name: 11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
Structure
SMILES: C[N+]1([O-])CCC2=CC3=C(OCO3)C3=C2C1CC1=CC=CC(O)=C13
InChI: InChI=1S/C18H17NO4/c1-19(21)6-5-11-8-14-18(23-9-22-14)17-15(11)12(19)7-10-3-2-4-13(20)16(10)17/h2-4,8,12,20H,5-7,9H2,1H3
InChIKey: KBLBAGBORDBOPT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Laurelia novae-zelandiae | Laurelia | Atherospermataceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.337
TPSA？: 61.75
MolLogP？: 2.885600000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|