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rhodomycins a

AlkaPlorer ID: AK001399

Synonym: 'Rhodomycin A', 'Beta-Rhodomycin-II', 'RHODOMYCIN A\nRhodomycin A'

IUPAC Name: (7S,9R,10R)-7,10-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Structure

SMILES: CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(O)C(C)O2)C2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2[C@H]1OC1CC(N(C)C)C(O)C(C)O1

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InChI: InChI=1S/C36H48N2O12/c1-8-36(46)14-21(49-22-12-18(37(4)5)29(40)15(2)47-22)25-28(35(36)50-23-13-19(38(6)7)30(41)16(3)48-23)34(45)26-27(33(25)44)32(43)24-17(31(26)42)10-9-11-20(24)39/h9-11,15-16,18-19,21-23,29-30,35,39-41,44-46H,8,12-14H2,1-7H3/t15?,16?,18?,19?,21-,22?,23?,29?,30?,35+,36+/m0/s1

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InChIKey: NWPIUETWDSWOKV-QROLFQDOSA-N

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Properties Information

Molecule Weight: 700.7820000000003

TPSA？: 198.92

MolLogP？: 2.091

Number of H-Donors: 6

Number of H-Acceptors: 14

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 19.63 nM None
Homo sapiens A498 GI50 11.99 nM None
Homo sapiens A549 GI50 30.55 nM None
Homo sapiens ACHN GI50 26.55 nM None
Homo sapiens BT-549 GI50 41.02 nM None
Homo sapiens CAKI-1 GI50 19.54 nM None
Homo sapiens CCRF-CEM GI50 68.71 nM None
Homo sapiens COLO 205 GI50 32.06 nM None
Homo sapiens DU-145 GI50 181.55 nM None
Homo sapiens EKVX GI50 98.4 nM None
Homo sapiens HCC 2998 GI50 28.44 nM None
Homo sapiens HCT-116 GI50 24.72 nM None
Homo sapiens HCT-15 GI50 58.48 nM None
Homo sapiens HL-60 GI50 86.9 nM None
Homo sapiens HOP-62 GI50 40.36 nM None
Homo sapiens HOP-92 GI50 70.96 nM None
Homo sapiens Hs-578T GI50 57.68 nM None
Homo sapiens HT-29 GI50 22.39 nM None
Homo sapiens IGROV-1 GI50 70.63 nM None
Homo sapiens K562 GI50 26.67 nM None
Homo sapiens KM12 GI50 27.99 nM None
Homo sapiens LOX IMVI GI50 20.84 nM None
Homo sapiens M14 GI50 35.73 nM None
Homo sapiens Malme-3M GI50 42.36 nM None
Homo sapiens MCF7 GI50 32.14 nM None
Homo sapiens MDA-MB-231 GI50 34.12 nM None
Homo sapiens MDA-MB-435 GI50 34.12 nM None
Homo sapiens MDA-N GI50 36.31 nM None
Homo sapiens MOLT-4 GI50 81.66 nM None
Homo sapiens NCI/ADR-RES GI50 177.42 nM None
Homo sapiens NCI-H226 GI50 21.93 nM None
Homo sapiens NCI-H23 GI50 57.02 nM None
Homo sapiens NCI-H322M GI50 41.21 nM None
Homo sapiens NCI-H460 GI50 17.99 nM None
Homo sapiens NCI-H522 GI50 14.39 nM None
Homo sapiens OVCAR-3 GI50 51.05 nM None
Homo sapiens OVCAR-4 GI50 40.93 nM None
Homo sapiens OVCAR-5 GI50 83.75 nM None
Homo sapiens OVCAR-8 GI50 27.42 nM None
Homo sapiens PC-3 GI50 36.06 nM None
Homo sapiens RPMI-8226 GI50 40.93 nM None
Homo sapiens RXF 393 GI50 25.53 nM None
Homo sapiens SF-268 GI50 60.26 nM None
Homo sapiens SF-295 GI50 39.99 nM None
Homo sapiens SF-539 GI50 53.09 nM None
Homo sapiens SK-MEL-2 GI50 22.7 nM None
Homo sapiens SK-MEL-28 GI50 37.33 nM None
Homo sapiens SK-MEL-5 GI50 32.28 nM None
Homo sapiens SK-OV-3 GI50 39.72 nM None
Homo sapiens SN12C GI50 53.95 nM None
Homo sapiens SNB-19 GI50 39.99 nM None
Homo sapiens SNB-75 GI50 19.54 nM None
Homo sapiens SR GI50 38.46 nM None
Homo sapiens SW-620 GI50 37.76 nM None
Homo sapiens T47D GI50 59.98 nM None
Homo sapiens TK-10 GI50 47.32 nM None
Homo sapiens U-251 GI50 26.42 nM None
Homo sapiens UACC-257 GI50 145.55 nM None
Homo sapiens UACC-62 GI50 25.29 nM None
Homo sapiens UO-31 GI50 27.54 nM None

Metabolism Information