Onetine; 20-Deoxy, 20-chloro, O12-Ac
AlkaPlorer ID: AK308662
Synonym: Doronine, 6'-Chlorodeoxyfloridanine
IUPAC Name: None
Structure
SMILES: CC(=O)OC1(C)C(=O)OCC2=CC[N+]3(C)CCC(OC(=O)C(O)(C(C)Cl)CC1C)C23[O-]
InChI: InChI=1S/C21H30ClNO8/c1-12-10-20(27,13(2)22)18(26)30-16-7-9-23(5)8-6-15(21(16,23)28)11-29-17(25)19(12,4)31-14(3)24/h6,12-13,16,27H,7-11H2,1-5H3
InChIKey: BMNDULXOIDYUMN-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Doronicum macrophyllum | Doronicum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 459.9230000000002
TPSA？: 122.19
MolLogP？: 0.0083000000000017
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|