symphytine
AlkaPlorer ID: AK004070
Synonym: '', '7-Angeloylrindrine', 'Symlandine', '7-Angelyl-9-(-)-viridiflorylretronecine', '7-Tiglylretronecine viridiflorate', '7-Angeloylrinderine', 'O-Demethylheliotrine 7-angelate', '7-Tiglyl-9-(-)-viridiflorylretronecine', 'Symphytine'
IUPAC Name: [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
Structure
SMILES: C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12
InChI: InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1
InChIKey: MVWPTZQHBOWRTF-MVEITQORSA-N
Reference
Pyrrolizidine alkaloids from Lithospermum erythrorhizon
PubChem CID: 6440700
CAS: 82535-76-0
LOTUS: LTS0034334
SuperNatural Ⅲ: SN0236807-06
NPASS: NPC42494
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lithospermum erythrorhizon | Lithospermum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Symphytum officinale | Symphytum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 381.4690000000001
TPSA？: 96.3
MolLogP？: 1.1898
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|