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Chemical structure of Siomycin A

GC44892

Siomycin A

Also known as N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(11E)-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,46-dimethyl-40,43-dimethylidene-6,9,16,23,28,38,41,44,47-nonaoxo-37-propan-2-yl-27-oxa-3,13,20,55-tetrathia-7,10,17,24,36,39,42,45,48,51,57,61,62,63,64-pentadecazanonacyclo[23.23.8.329,35.11,52.12,5.112,15.119,22.153,56.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,50,53,56-dodecaen-50-yl]-1,3-thiazole-4-carboxamide

The mammalian transcription factor forkhead box M1 (FoxM1) is induced during G1 phase, with expression continuing through S phase and mitosis

ChemicalCAS12656-09-6MW1648.9FormulaC71H81N19O18S5
CAS number
12656-09-6
Molecular weight
1648.9
Formula
C71H81N19O18S5
Solubility
DMF： Soluble,DMSO： Soluble
InChIKey
GWZSLKIRHVKJTP-JAVCYFNSSA-N
Catalogue number
GC44892
Brand
GLPBIO
Computed properties PubChem CID 16130279 · XLogP 0.5 · TPSA 701 Ų · H-bond donors 17
XLogP
0.5
TPSA
701 Ų
H-bond donors
17
H-bond acceptors
31
Rotatable bonds
11
Heavy atoms
113

SMILES C/C=C/1\C2=NC(CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC4C(OC(=O)C5=NC6=C(C=CC(C6O)NC(C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(C(=O)NC7(CC(C8=CSC4=N8)N=C(C7)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C2=NC(=CS2)C(=O)NC(C(=O)N1)C(C)O)C)C(C)C)C(=C5)C(C)O)C)C(C)(C(C)O)O

Computed descriptors from PubChem (CID 16130279), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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