Isorhoeagenine
AlkaPlorer ID: AK008880
Synonym: '', 'Rhoeagenine'
IUPAC Name: (1S,14R,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+/m1/s1
InChIKey: XUYAYNRYVXHNOQ-HBFSDRIKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Papaver rhoeas | Papaver | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
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 |
|---|