7-Angeloyl-9-(2-methylbutyryl)heliotridine
AlkaPlorer ID: AK199143
Synonym: ''
IUPAC Name: [(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-methylbutanoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@H](C)CC)[C@H]12
InChI: InChI=1S/C18H27NO4/c1-5-12(3)17(20)22-11-14-7-9-19-10-8-15(16(14)19)23-18(21)13(4)6-2/h6-7,12,15-16H,5,8-11H2,1-4H3/b13-6-/t12-,15+,16-/m1/s1
InChIKey: HCWYTYBGRVJHCP-CWAPYDSKSA-N
Reference
Pyrrolizidine alkaloids from Cynoglossum creticum
PubChem CID: 162865484
LOTUS: LTS0128211
SuperNatural Ⅲ: SN0122197-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynoglossum creticum | Cynoglossum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 321.41700000000003
TPSA？: 55.84
MolLogP？: 2.468000000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|