Molecule

Isorhoeagenine

AlkaPlorer ID: AK008881

Synonym: '', 'Rhoeagenine'

IUPAC Name: (1R,14S,24S)-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)-hexaen-24-ol

Structure

SMILES: CN1CCC2=CC3=C(C=C2[C@H]2O[C@H](O)C4=C5OCOC5=CC=C4[C@@H]21)OCO3

InChI: InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)18-17(21)11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18,20,22H,4-5,8-9H2,1H3/t17-,18+,20-/m0/s1

InChIKey: XUYAYNRYVXHNOQ-NSHGMRRFSA-N

Reference

Alkaloide der Mohngewächse (Papaveraceae) XXXI. Alkaloide aus Papaver commutatum FISCH. et MEY.

PubChem CID: 162939976

LOTUS: LTS0008002

SuperNatural Ⅲ: SN0440795-05

NPASS: NPC132527

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Centaurea sclerolepis	Centaurea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lepista glaucocana	Lepista	Clitocybaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Berberis chitria	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tolypothrix distorta	Tolypothrix	Tolypothrichaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 369.3730000000001

TPSA？: 69.62000000000002

MolLogP？: 2.4354000000000005

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi