Molecule

Rhoeadine

AlkaPlorer ID: AK008850

Synonym: '', 'Rhoeadine', '1-Isorheadine', 'Isorhoeadine'

IUPAC Name: (1S,14R,24S)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene

Structure

SMILES: CO[C@H]1O[C@H]2C3=CC4=C(C=C3CCN(C)[C@@H]2C2=CC=C3OCOC3=C21)OCO4

InChI: InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19+,21+/m1/s1

InChIKey: XRBIHOLQAKITPP-DYXWJJEUSA-N

Reference

Analytical studies of isorhoeadine and rhoeagenine in petal extracts of Papaver rhoeas L. using high-performance liquid chromatography

PubChem CID: 12304371

LOTUS: LTS0018273

SuperNatural Ⅲ: SN0437759-02

NPASS: NPC192570

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Convallaria keiskei	Convallaria	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Papaver commutatum	Papaver	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Reineckea carnea	Reineckea	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 383.4000000000002

TPSA？: 58.620000000000005

MolLogP？: 3.089500000000001

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi