heliosupine
AlkaPlorer ID: AK012115
Synonym: 'Cynoglossofin', '', 'Cyanoglossophine', 'Heliosupin', 'Cynoglossophine', 'Echimidine', '7-Angelyl-9-echimidinylheliotridine', 'Cynoglossofine', 'Heliosupine', '7-Angelyl-9-echimidinylretronecine'
IUPAC Name: [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12
InChI: InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1
InChIKey: HRSGCYGUWHGOPY-LYHHMGRNSA-N
Reference
Alkaloids and other compounds of Symphytum tuberosum
PubChem CID: 5281729
CAS: 520-68-3
LOTUS: LTS0199624
SuperNatural Ⅲ: SN0133631-13
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echium vulgare | Echium | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.4680000000001
TPSA？: 116.53
MolLogP？: 0.3047000000000005
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cricetulus griseus | CHO | EC50 | nan | None | 10.1016/jbse.2007.08.015 |
| Leptinotarsa decemlineata | Leptinotarsa decemlineata | EC50 | 1.4 | microg/cm2 | 10.1016/jbse.2007.08.015 |
| Myzus persicae | Myzus persicae | Activity | 40.0 | % | 10.1016/jbse.2007.08.015 |
| Rhopalosiphum padi | Rhopalosiphum padi | Activity | 36.0 | % | 10.1016/jbse.2007.08.015 |
| Spodoptera littoralis | Spodoptera littoralis | Activity | 118.0 | % | 10.1016/jbse.2007.08.015 |
| Spodoptera littoralis | Spodoptera littoralis | Activity | 165.0 | % | 10.1016/jbse.2007.08.015 |
| Spodoptera littoralis | Spodoptera littoralis | EC50 | 50.0 | microg/cm2 | 10.1016/jbse.2007.08.015 |
| None | ADMET | EC50 | nan | None | 10.1016/jbse.2007.08.015 |