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Thalicarpine; O1-De-Me 

AlkaPlorer ID: AK315754

Synonym: Thalictropine

IUPAC Name: 9-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

Structure

SMILES: COC1=C(OC)C=C(OC2=C(OC)C=C3C(=C2)CC2C4=C(C=C(OC)C(O)=C34)CCN2C)C(CC2C3=CC(OC)=C(OC)C=C3CCN2C)=C1

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InChI: InChI=1S/C40H46N2O8/c1-41-11-9-22-15-31(44-3)33(46-5)19-26(22)28(41)14-25-18-32(45-4)35(48-7)21-30(25)50-36-17-24-13-29-38-23(10-12-42(29)2)16-37(49-8)40(43)39(38)27(24)20-34(36)47-6/h15-21,28-29,43H,9-14H2,1-8H3

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InChIKey: DRACRVAKPKYPSB-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 682.8140000000001

TPSA？: 91.32

MolLogP？: 6.759900000000007

Number of H-Donors: 1

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 23067.47 nM None
Homo sapiens A498 GI50 21978.6 nM None
Homo sapiens A549 GI50 33189.45 nM None
Homo sapiens ACHN GI50 22855.99 nM None
Homo sapiens BT-549 GI50 14825.18 nM None
Homo sapiens CAKI-1 GI50 23713.74 nM None
Homo sapiens CCRF-CEM GI50 18836.49 nM None
Homo sapiens COLO 205 GI50 11376.27 nM None
Homo sapiens DU-145 GI50 24099.05 nM None
Homo sapiens EKVX GI50 20511.62 nM None
Homo sapiens HCC 2998 GI50 13061.71 nM None
Homo sapiens HCT-116 GI50 18113.4 nM None
Homo sapiens HCT-15 GI50 13995.87 nM None
Homo sapiens HL-60 GI50 4008.67 nM None
Homo sapiens HOP-62 GI50 23659.2 nM None
Homo sapiens HOP-92 GI50 14454.4 nM None
Homo sapiens Hs-578T GI50 18155.16 nM None
Homo sapiens HT-29 GI50 6823.39 nM None
Homo sapiens IGROV-1 GI50 19998.62 nM None
Homo sapiens K562 GI50 10789.47 nM None
Homo sapiens KM12 GI50 14996.85 nM None
Homo sapiens LOX IMVI GI50 16519.62 nM None
Homo sapiens M14 GI50 5035.01 nM None
Homo sapiens Malme-3M GI50 23768.4 nM None
Homo sapiens MCF7 GI50 12473.84 nM None
Homo sapiens MDA-MB-231 GI50 18323.14 nM None
Homo sapiens MDA-MB-435 GI50 24043.63 nM None
Homo sapiens MDA-N GI50 16672.47 nM None
Homo sapiens MOLT-4 GI50 19408.86 nM None
Homo sapiens NCI/ADR-RES GI50 20606.3 nM None
Homo sapiens NCI-H226 GI50 26668.59 nM None
Homo sapiens NCI-H23 GI50 22181.96 nM None
Homo sapiens NCI-H322M GI50 19453.6 nM None
Homo sapiens NCI-H460 GI50 18365.38 nM None
Homo sapiens NCI-H522 GI50 17782.79 nM None
Homo sapiens OVCAR-3 GI50 20417.38 nM None
Homo sapiens OVCAR-4 GI50 28313.92 nM None
Homo sapiens OVCAR-5 GI50 45814.19 nM None
Homo sapiens OVCAR-8 GI50 20844.91 nM None
Homo sapiens PC-3 GI50 23280.91 nM None
Homo sapiens RXF 393 GI50 2108.63 nM None
Homo sapiens SF-268 GI50 17823.79 nM None
Homo sapiens SF-295 GI50 17864.88 nM None
Homo sapiens SF-539 GI50 14125.38 nM None
Homo sapiens SK-MEL-2 GI50 22803.42 nM None
Homo sapiens SK-MEL-28 GI50 20323.57 nM None
Homo sapiens SK-MEL-5 GI50 13899.53 nM None
Homo sapiens SK-OV-3 GI50 41114.97 nM None
Homo sapiens SN12C GI50 22080.05 nM None
Homo sapiens SNB-19 GI50 25292.98 nM None
Homo sapiens SNB-75 GI50 14893.61 nM None
Homo sapiens SR GI50 3681.29 nM None
Homo sapiens SW-620 GI50 39536.66 nM None
Homo sapiens T47D GI50 22080.05 nM None
Homo sapiens TK-10 GI50 21978.6 nM None
Homo sapiens U-251 GI50 24490.63 nM None
Homo sapiens UACC-257 GI50 14454.4 nM None
Homo sapiens UACC-62 GI50 20511.62 nM None
Homo sapiens UO-31 GI50 18492.69 nM None

Metabolism Information