Molecule

9-Angeloylretronecine

AlkaPlorer ID: AK016442

Synonym: '9-Angelylretronecine', '9-O-Angelylretronecine', 'Retronecine 9-(trans-2-methylcrotonate)', '9-Tigloylretronecine', '9-Tiglylretronecine'

IUPAC Name: None

Structure

SMILES: C/C=C(/C)C(=O)OCC1=CC[NH+]2CC[C@@H](O)[C@@H]12

InChI: InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/p+1/b9-3-/t11-,12-/m1/s1

InChIKey: VYUQPLFRNDQDHW-BTRLNGJCSA-O

Reference

Pyrrolizidine alkaloids from Alkanna tinctoria

LOTUS: LTS0243284

SuperNatural Ⅲ: SN0403763-03

NPASS: NPC105626

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Callyspongia siphonella	Callyspongia	Callyspongiidae	Haplosclerida	Demospongiae	Porifera	Metazoa	Eukaryota
Eucalyptus coccifera	Eucalyptus	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Arnebia euchroma	Arnebia	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhizomnium magnifolium	Rhizomnium	Mniaceae	Bryales	Bryopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 238.307

TPSA？: 50.97

MolLogP？: -0.5460999999999989

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi