Molecule

None

AlkaPlorer ID: AK571586

Synonym: None

IUPAC Name: [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-3-methylbutanoate

Structure

SMILES: CC(C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)[C@H](C)OC(=O)/C=C/C1=CC=C(O)C=C1

InChI: InChI=1S/C24H31NO7/c1-15(2)24(30,16(3)32-21(28)9-6-17-4-7-19(26)8-5-17)23(29)31-14-18-10-12-25-13-11-20(27)22(18)25/h4-10,15-16,20,22,26-27,30H,11-14H2,1-3H3/b9-6+/t16-,20-,22+,24-/m0/s1

InChIKey: XNECEVNOSPHNLL-WNDOGNLDSA-N

Reference

Pyrrolizidine Alkaloids from Cynoglossum creticum. Synthesis of the Pyrrolizidine Alkaloids Echinatine, Rinderine, and Analogues

PubChem CID: 134715016

LOTUS: LTS0092740

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cynoglossum creticum	Cynoglossum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 445.5120000000001

TPSA？: 116.53000000000002

MolLogP？: 1.6425999999999992

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi