Rhoeadine; (+)-form, O-De-Me, Et ether
AlkaPlorer ID: AK312478
Synonym: Dubirheine, O-Ethylrhoeagenine
IUPAC Name: 24-ethoxy-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: CCOC1OC2C3=CC4=C(C=C3CCN(C)C2C2=CC=C3OCOC3=C21)OCO4
InChI: InChI=1S/C22H23NO6/c1-3-24-22-18-13(4-5-15-21(18)28-11-25-15)19-20(29-22)14-9-17-16(26-10-27-17)8-12(14)6-7-23(19)2/h4-5,8-9,19-20,22H,3,6-7,10-11H2,1-2H3
InChIKey: RKBDCPZCGRWNMP-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 397.4270000000002
TPSA？: 58.620000000000005
MolLogP？: 3.4796000000000022
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
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