Molecule

Clivoline

AlkaPlorer ID: AK011911

Synonym: '', 'Clivorine', 'Clivoline'

IUPAC Name: [(1R,4Z,6S,7S,11Z)-4-ethenyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl] acetate

Structure

SMILES: C=C/C1=C/[C@H](C)[C@](C)(OC(C)=O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O

InChI: InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17+,21-/m0/s1

InChIKey: LIEIOJNANXUNDT-VKPCTYQGSA-N

Reference

Characterization of Two Structural Forms of Otonecine-Type Pyrrolizidine Alkaloids from <i>Ligularia hodgsonii</i> by NMR Spectroscopy

PubChem CID: 10069841

LOTUS: LTS0077284

SuperNatural Ⅲ: SN0206146-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ligularia hodgsonii	Ligularia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 405.4470000000002

TPSA？: 99.21

MolLogP？: 1.3562999999999996

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi