Ocoteine; (S)-form, N-Oxide(S-)
AlkaPlorer ID: AK308387
Synonym: Ocoteine α-N-oxide
IUPAC Name: None
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C3OCOC3=C(OC)C3=C1C(C2)[N+](C)([O-])CC3
InChI: InChI=1S/C21H23NO6/c1-22(23)6-5-12-17-14(22)7-11-8-15(24-2)16(25-3)9-13(11)18(17)20-21(19(12)26-4)28-10-27-20/h8-9,14H,5-7,10H2,1-4H3
InChIKey: KJFLFRCZQVFSBI-UHFFFAOYSA-N
Reference
CAS: 1356489-62-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ocotea acutifolia | Ocotea | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 385.41600000000017
TPSA？: 69.21000000000001
MolLogP？: 3.2058000000000018
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|