Heliosupine; 3'-Ac
AlkaPlorer ID: AK297270
Synonym: Acetylheliosupine
IUPAC Name: [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(1-acetyloxyethyl)-2,3-dihydroxy-3-methylbutanoate
Structure
SMILES: CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)OC(C)=O)C(C)(C)O)C12
InChI: InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3
InChIKey: LHYJPODIMQKZHJ-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids of Cynoglossum officinale and Cynoglossum amabile (family boraginaceae)
PubChem CID: 78409650
CAS: 31514-30-4
LOTUS: LTS0084747
COCONUT: CNP0357452.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynoglossum officinale | Cynoglossum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 439.50500000000017
TPSA？: 122.6
MolLogP？: 0.8755000000000006
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|