Heliosupine; 3'-Ac, N-oxide
AlkaPlorer ID: AK300101
Synonym: 3'-Acetylheliosupine N-oxide
IUPAC Name: None
Structure
SMILES: CC=C(C)C(=O)OC1CC[N+]2([O-])CC=C(COC(=O)C(O)(C(C)OC(C)=O)C(C)(C)O)C12
InChI: InChI=1S/C22H33NO9/c1-7-13(2)19(25)32-17-9-11-23(29)10-8-16(18(17)23)12-30-20(26)22(28,21(5,6)27)14(3)31-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3
InChIKey: SDRRGVDUZJMIDQ-UHFFFAOYSA-N
Reference
CAS: 147802-43-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heliotropium hirsutissimum | Heliotropium | Heliotropiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 455.5040000000002
TPSA？: 142.42
MolLogP？: 0.8881000000000006
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|