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name Structure Reference Source Properties Activities Metabolism

cystothiazole A

AlkaPlorer ID: AK020749

Synonym: '(+)-Cystothiazole A', 'Melithiazole E', '(+)-cystothiazole A', 'Antibiotic YSI 40-2', 'Cystothiazole A', 'melithiazole E', 'Melithiazol E'

IUPAC Name: methyl (2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate

Structure

SMILES: COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/C1=CSC(C2=CSC(C(C)C)=N2)=N1)OC

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InChI: InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-13,16H,1-6H3/b8-7+,17-9+/t13-,16+/m1/s1

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InChIKey: LRTJMINIVSPVMX-ZVJWTWILSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Cystobacter fuscus Cystobacter Archangiaceae Myxococcales Myxococcia Myxococcota None Bacteria

Properties Information

Molecule Weight: 422.5720000000002

TPSA？: 70.54

MolLogP？: 4.7576000000000045

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 7447.32 nM None
Homo sapiens A498 GI50 5970.35 nM None
Homo sapiens A549 GI50 135.83 nM None
Homo sapiens ACHN GI50 123.88 nM None
Homo sapiens BT-549 GI50 4797.33 nM None
Homo sapiens CAKI-1 GI50 7079.46 nM None
Homo sapiens CCRF-CEM GI50 18197.01 nM None
Homo sapiens COLO 205 GI50 3380.65 nM None
Homo sapiens DU-145 GI50 5046.61 nM None
Homo sapiens EKVX GI50 721.11 nM None
Homo sapiens HCT-116 GI50 284.45 nM None
Homo sapiens HCT-15 GI50 97.5 nM None
Homo sapiens HL-60 GI50 2506.11 nM None
Homo sapiens HOP-62 GI50 43251.38 nM None
Homo sapiens HOP-92 GI50 6067.36 nM None
Homo sapiens Hs-578T GI50 57809.6 nM None
Homo sapiens HT-29 GI50 290.4 nM None
Homo sapiens IGROV-1 GI50 425.6 nM None
Homo sapiens K562 GI50 520.0 nM None
Homo sapiens KM12 GI50 1524.05 nM None
Homo sapiens LOX IMVI GI50 83.75 nM None
Homo sapiens M14 GI50 1442.12 nM None
Homo sapiens Malme-3M GI50 18793.17 nM None
Homo sapiens MCF7 GI50 178.24 nM None
Homo sapiens MDA-MB-231 GI50 4688.13 nM None
Homo sapiens MDA-MB-435 GI50 924.7 nM None
Homo sapiens MDA-N GI50 3681.29 nM None
Homo sapiens MOLT-4 GI50 70.31 nM None
Homo sapiens NCI/ADR-RES GI50 841.4 nM None
Homo sapiens NCI-H226 GI50 4187.94 nM None
Homo sapiens NCI-H23 GI50 568.85 nM None
Homo sapiens NCI-H322M GI50 1931.97 nM None
Homo sapiens NCI-H460 GI50 52.12 nM None
Homo sapiens NCI-H522 GI50 1210.6 nM None
Homo sapiens OVCAR-3 GI50 349.95 nM None
Homo sapiens OVCAR-4 GI50 415.91 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 785.24 nM None
Homo sapiens PC-3 GI50 125.89 nM None
Homo sapiens RPMI-8226 GI50 373.25 nM None
Homo sapiens RXF 393 GI50 1348.96 nM None
Homo sapiens SF-268 GI50 647.14 nM None
Homo sapiens SF-295 GI50 68.08 nM None
Homo sapiens SF-539 GI50 8790.23 nM None
Homo sapiens SK-MEL-2 GI50 27989.81 nM None
Homo sapiens SK-MEL-28 GI50 63533.09 nM None
Homo sapiens SK-MEL-5 GI50 17.74 nM None
Homo sapiens SK-OV-3 GI50 62086.9 nM None
Homo sapiens SN12C GI50 10327.61 nM None
Homo sapiens SNB-19 GI50 10000.0 nM None
Homo sapiens SNB-75 GI50 100000.0 nM None
Homo sapiens SR GI50 92.9 nM None
Homo sapiens SW-620 GI50 741.31 nM None
Homo sapiens T47D GI50 1399.59 nM None
Homo sapiens TK-10 GI50 17538.81 nM None
Homo sapiens U-251 GI50 148.59 nM None
Homo sapiens UACC-257 GI50 454.99 nM None
Homo sapiens UACC-62 GI50 329.61 nM None
Homo sapiens UO-31 GI50 703.07 nM None

Metabolism Information