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name Structure Reference Source Properties Activities Metabolism

(2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.0²,¹⁰.0³,⁸.0¹⁴,¹⁸]nonadeca-1(12),3(8),4,6,18-pentaen-13-one

AlkaPlorer ID: AK051321

Synonym: None

IUPAC Name: (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,18-pentaen-13-one

Structure

SMILES: COC1=CC=C([C@@]23OC4=CC(OC)=CC(OC)=C4[C@]2(O)C2=C(C(=O)N4CCCC4=N2)[C@H]3C2=CC=CC=C2)C=C1

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InChI: InChI=1S/C31H28N2O6/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25-28(32-24-10-7-15-33(24)29(25)34)30(31,35)27-22(38-3)16-21(37-2)17-23(27)39-31/h4-6,8-9,11-14,16-17,26,35H,7,10,15H2,1-3H3/t26-,30+,31+/m1/s1

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InChIKey: YCIPQJTZJGUXND-JZRGNDHQSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aglaia odorata Aglaia Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 524.5730000000003

TPSA？: 92.04

MolLogP？: 3.8846000000000025

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Hepacivirus hominis Hepatitis C virus EC50 0.04 nM 10.1016/j.ejmech.2020.112653
Mus musculus NIH3T3 IC50 0.0078 ug.mL-1 10.1021/np960346g
Mus musculus NIH3T3 IC50 0.008 ug.mL-1 10.1021/np960346g
Mus musculus NIH3T3 IC50 0.0089 ug.mL-1 10.1021/np960346g
Rattus norvegicus NRK Activity nan None 10.1021/np960346g
Rattus norvegicus NRK IC50 0.0098 ug.mL-1 10.1021/np960346g
Rattus norvegicus NRK IC50 0.081 ug.mL-1 10.1021/np960346g
None ADMET IC50 0.0076 ug.mL-1 10.1021/np960346g

Metabolism Information