20-({17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,¹?]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}oxy)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,¹?]henicosa-1,3,8,10,12,14,16,18-octaene
AlkaPlorer ID: AK123727
Synonym: None
IUPAC Name: (13S)-13-[[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]oxy]-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Structure
SMILES: COC1=C(OC)C2=C(C=C1)C1=CC=C3C=C4OCOC4=CC3=C1N(C)[C@@H]2O[C@H]1C2=C(OC)C(OC)=CC=C2C2=C(C3=CC4=C(C=C3C=C2)OCO4)N1C
InChI: InChI=1S/C42H36N2O9/c1-43-37-25(9-7-21-15-31-33(17-27(21)37)51-19-49-31)23-11-13-29(45-3)39(47-5)35(23)41(43)53-42-36-24(12-14-30(46-4)40(36)48-6)26-10-8-22-16-32-34(52-20-50-32)18-28(22)38(26)44(42)2/h7-18,41-42H,19-20H2,1-6H3/t41-,42+
InChIKey: DJYDLNNCOAXITG-ZRKBJOGQSA-N
Reference
Cytotoxic dihydrobenzophenanthridine alkaloids from the roots of Macleaya microcarpa
PubChem CID: 102464238
LOTUS: LTS0260842
NPASS: NPC266486
Source
Properties Information
Molecule Weight: 712.755
TPSA？: 89.55000000000001
MolLogP？: 8.432400000000005
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 10
Activities Information
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