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Chemical structure of Mycalolide B

GB40286

Mycalolide B

Also known as [(E,3R,4R,5S,6R,9S,10S)-4-acetyloxy-1-[formyl(methyl)amino]-11-[(10S,11R,13E,16S,20S,21R,22S,24Z)-16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] (2R)-2,3-dimethoxypropanoate

Mycalolide B (122752-21-0) is a novel marine natural product which binds to actin in a 1:1 molar ratio (Kd=13-20 nM)· It selectively and completely depolymerizes F-actin to G-actin via a novel mechanism different from that of the cytochalasin D· It is a novel and specific inhibitor of actomyosin ATPase

ChemicalCAS122752-21-0MW1027.16FormulaC52H74N4O17
CAS number
122752-21-0
Molecular weight
1027.16
Formula
C52H74N4O17
InChIKey
ZYDMLFOHENLMIN-RKRPCCGKSA-N
Catalogue number
GB40286
Brand
GLPBIO
Computed properties PubChem CID 6440825 · XLogP 5 · TPSA 261 Ų · H-bond donors 1
XLogP
5
TPSA
261 Ų
H-bond donors
1
H-bond acceptors
20
Rotatable bonds
22
Heavy atoms
73

SMILES C[C@@H]1[C@H](C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)[C@H]([C@H](C(=O)/C=C/C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@@H](COC)OC)OC)O)C)OC)OC

Computed descriptors from PubChem (CID 6440825), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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