5-(2,6-dimethoxy-3-{[(6R)-4-methoxy-7-methyl-2H,6H,8H,9H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,6,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

AlkaPlorer ID: AK213812

Synonym: None

IUPAC Name: (6R)-6-[[2,4-dimethoxy-3-[(4,6,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]phenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline

Structure

SMILES: COC1=CC=C(C[C@@H]2C3=C(CCN2C)C2=C(OCO2)C(OC)=C3)C(OC)=C1OC1=C(OC)C=C2C(=C1OC)CC1=NC=CC3=CC(OC)=C(OC)C2=C13

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InChI: InChI=1S/C41H42N2O10/c1-43-14-12-23-24(18-31(46-4)39-37(23)51-20-52-39)28(43)15-22-9-10-29(44-2)40(35(22)48-6)53-41-32(47-5)19-25-26(36(41)49-7)17-27-33-21(11-13-42-27)16-30(45-3)38(50-8)34(25)33/h9-11,13,16,18-19,28H,12,14-15,17,20H2,1-8H3/t28-/m1/s1

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InChIKey: QDYWYMHZXBTSQO-MUUNZHRXSA-N

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Source

Properties Information

Molecule Weight: 722.791

TPSA: 108.43000000000002

MolLogP: 7.158900000000008

Number of H-Donors: 0

Number of H-Acceptors: 12

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information