Dicentrine; (S)-form, N-Oxide(S-)
AlkaPlorer ID: AK295499
Synonym: Dicentrine α-N-oxide
IUPAC Name: 16,17-dimethoxy-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C3OCOC3=CC3=C1C(C2)[N+](C)([O-])CC3
InChI: InChI=1S/C20H21NO5/c1-21(22)5-4-11-7-17-20(26-10-25-17)19-13-9-16(24-3)15(23-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3
InChIKey: UTOHNPYVBQCFDL-UHFFFAOYSA-N
Reference
CAS: 1356681-07-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ocotea acutifolia | Ocotea | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 355.3900000000001
TPSA？: 59.98
MolLogP？: 3.1972000000000014
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|