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Grisabine; O12-De-Me, O7,O7'-di-Me 

AlkaPlorer ID: AK294424

Synonym: None

IUPAC Name: 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenol

Structure

SMILES: COC1=CC2=C(C=C1OC)C(CC1=CC=C(OC3=CC(CC4C5=CC(OC)=C(OC)C=C5CCN4C)=CC=C3O)C=C1)N(C)CC2

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InChI: InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3

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InChIKey: AQASRZOCERRGBL-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Menispermum canadense Menispermum Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 624.7780000000002

TPSA？: 72.86

MolLogP？: 6.7623000000000095

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 13458.6 nM None
Homo sapiens A498 GI50 22029.26 nM None
Homo sapiens A549 GI50 35237.09 nM None
Homo sapiens ACHN GI50 16481.62 nM None
Homo sapiens CAKI-1 GI50 21677.04 nM None
Homo sapiens CCRF-CEM GI50 12705.74 nM None
Homo sapiens COLO 205 GI50 11297.96 nM None
Homo sapiens DLD-1 GI50 18706.82 nM None
Homo sapiens DMS-114 GI50 16330.52 nM None
Homo sapiens DMS-273 GI50 21677.04 nM None
Homo sapiens EKVX GI50 88511.56 nM None
Homo sapiens HCC 2998 GI50 14256.08 nM None
Homo sapiens HCT-116 GI50 10303.86 nM None
Homo sapiens HCT-15 GI50 15595.53 nM None
Homo sapiens HL-60 GI50 13365.96 nM None
Homo sapiens HOP-18 GI50 26546.06 nM None
Homo sapiens HOP-62 GI50 24322.04 nM None
Homo sapiens HOP-92 GI50 24322.04 nM None
Homo sapiens HT-29 GI50 13122.0 nM None
Homo sapiens IGROV-1 GI50 23067.47 nM None
Homo sapiens K562 GI50 10232.93 nM None
Homo sapiens KM12 GI50 21877.62 nM None
Homo sapiens KM-20L2 GI50 13091.82 nM None
Homo sapiens LOX IMVI GI50 17378.01 nM None
Homo sapiens LXFL 529 GI50 14825.18 nM None
Homo sapiens M14 GI50 15205.48 nM None
Homo sapiens M19-MEL GI50 20989.4 nM None
Homo sapiens Malme-3M GI50 19498.45 nM None
Homo sapiens MOLT-4 GI50 14157.94 nM None
Homo sapiens NCI-H226 GI50 22803.42 nM None
Homo sapiens NCI-H23 GI50 51168.18 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 27925.44 nM None
Homo sapiens NCI-H522 GI50 11967.41 nM None
Homo sapiens OVCAR-3 GI50 19543.39 nM None
Homo sapiens OVCAR-4 GI50 20464.45 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 87297.14 nM None
Homo sapiens RPMI-8226 GI50 16865.53 nM None
Homo sapiens RXF 393 GI50 11912.42 nM None
Homo sapiens RXF 631 GI50 17906.06 nM None
Homo sapiens SF-268 GI50 14223.29 nM None
Homo sapiens SF-295 GI50 26424.09 nM None
Homo sapiens SF-539 GI50 16255.49 nM None
Homo sapiens SK-MEL-2 GI50 16106.46 nM None
Homo sapiens SK-MEL-28 GI50 16106.46 nM None
Homo sapiens SK-MEL-5 GI50 15739.83 nM None
Homo sapiens SK-OV-3 GI50 35318.32 nM None
Homo sapiens SN12C GI50 25763.21 nM None
Homo sapiens SNB-19 GI50 40550.85 nM None
Homo sapiens SNB-75 GI50 14791.08 nM None
Homo sapiens SNB-78 GI50 28510.18 nM None
Homo sapiens SR GI50 1786.49 nM None
Homo sapiens SW-620 GI50 16557.7 nM None
Homo sapiens TK-10 GI50 52722.99 nM None
Homo sapiens U-251 GI50 16904.41 nM None
Homo sapiens UACC-257 GI50 16218.1 nM None
Homo sapiens UACC-62 GI50 17378.01 nM None
Homo sapiens UO-31 GI50 14454.4 nM None
Homo sapiens XF498 GI50 18281.0 nM None

Metabolism Information