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name Structure Reference Source Properties Activities Metabolism

(1R)-20,21,25-trimethoxy-30-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,14,18(33),19,21,24,26,31,34-tridecaen-6-ol

AlkaPlorer ID: AK003276

Synonym: None

IUPAC Name: (1R)-20,21,25-trimethoxy-30-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tridecaen-6-ol

Structure

SMILES: COC1=CC2=C3C=C1OC1=C4C(=NCCC4=CC(OC)=C1OC)CC1=CC=C(C=C1)OC1=CC(=CC=C1O)C[C@H]3N(C)CC2

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InChI: InChI=1S/C36H36N2O6/c1-38-14-12-23-18-31(40-2)32-20-26(23)28(38)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-27-34-24(11-13-37-27)19-33(41-3)35(42-4)36(34)44-32/h5-10,17-20,28,39H,11-16H2,1-4H3/t28-/m1/s1

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InChIKey: FKHCVUFZOFEROS-MUUNZHRXSA-N

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Properties Information

Molecule Weight: 592.692

TPSA？: 81.98

MolLogP？: 6.675600000000008

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 10447.2 nM None
Homo sapiens A498 GI50 22029.26 nM None
Homo sapiens A549 GI50 37497.3 nM None
Homo sapiens ACHN GI50 23120.65 nM None
Homo sapiens BT-549 GI50 12473.84 nM None
Homo sapiens CAKI-1 GI50 20558.91 nM None
Homo sapiens CCRF-CEM GI50 29991.63 nM None
Homo sapiens COLO 205 GI50 13489.63 nM None
Homo sapiens DU-145 GI50 25351.29 nM None
Homo sapiens EKVX GI50 23227.37 nM None
Homo sapiens HCC 2998 GI50 13365.96 nM None
Homo sapiens HCT-116 GI50 12022.64 nM None
Homo sapiens HCT-15 GI50 12189.9 nM None
Homo sapiens HL-60 GI50 13995.87 nM None
Homo sapiens HOP-62 GI50 22335.72 nM None
Homo sapiens HOP-92 GI50 13551.89 nM None
Homo sapiens Hs-578T GI50 17619.76 nM None
Homo sapiens HT-29 GI50 10814.34 nM None
Homo sapiens IGROV-1 GI50 25351.29 nM None
Homo sapiens K562 GI50 12735.03 nM None
Homo sapiens KM12 GI50 15031.42 nM None
Homo sapiens LOX IMVI GI50 12589.25 nM None
Homo sapiens M14 GI50 16255.49 nM None
Homo sapiens Malme-3M GI50 601.17 nM None
Homo sapiens MCF7 GI50 25763.21 nM None
Homo sapiens MDA-MB-231 GI50 12941.96 nM None
Homo sapiens MDA-MB-435 GI50 18450.15 nM None
Homo sapiens MDA-N GI50 16634.13 nM None
Homo sapiens MOLT-4 GI50 11885.02 nM None
Homo sapiens NCI/ADR-RES GI50 13583.13 nM None
Homo sapiens NCI-H226 GI50 22594.36 nM None
Homo sapiens NCI-H23 GI50 19098.53 nM None
Homo sapiens NCI-H322M GI50 18407.72 nM None
Homo sapiens NCI-H460 GI50 15595.53 nM None
Homo sapiens NCI-H522 GI50 10690.55 nM None
Homo sapiens OVCAR-3 GI50 17741.89 nM None
Homo sapiens OVCAR-4 GI50 16106.46 nM None
Homo sapiens OVCAR-5 GI50 45603.69 nM None
Homo sapiens OVCAR-8 GI50 16032.45 nM None
Homo sapiens PC-3 GI50 13243.42 nM None
Homo sapiens RPMI-8226 GI50 16330.52 nM None
Homo sapiens RXF 393 GI50 10023.05 nM None
Homo sapiens SF-268 GI50 22594.36 nM None
Homo sapiens SF-295 GI50 19364.22 nM None
Homo sapiens SF-539 GI50 14757.07 nM None
Homo sapiens SK-MEL-2 GI50 16749.43 nM None
Homo sapiens SK-MEL-28 GI50 16710.91 nM None
Homo sapiens SK-MEL-5 GI50 12218.0 nM None
Homo sapiens SK-OV-3 GI50 48640.72 nM None
Homo sapiens SN12C GI50 22908.68 nM None
Homo sapiens SNB-19 GI50 23442.29 nM None
Homo sapiens SNB-75 GI50 14125.38 nM None
Homo sapiens SR GI50 5741.16 nM None
Homo sapiens SW-620 GI50 17258.38 nM None
Homo sapiens T47D GI50 21037.78 nM None
Homo sapiens TK-10 GI50 20606.3 nM None
Homo sapiens U-251 GI50 17418.07 nM None
Homo sapiens UACC-257 GI50 15995.58 nM None
Homo sapiens UACC-62 GI50 16672.47 nM None

Metabolism Information