Fusicoccin
[(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-8-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetate
Molecular Identity
Fusicoccin
[(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-8-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetate
PubChem CID: 447573
Fusicoccin is an acetate ester. It has a role as a toxin.
2D Structure
Properties
C36H56O12
Molecular Formula
680.80
Molecular Weight
g/mol
680.3772
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
170
TPSA
May have limited oral absorption
4
H-Bond Donors
12
H-Bond Acceptors
1240
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
FusicoccinFusicoccin-A20108-30-9[(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-8-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetateCHEBI:51015(2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-4-{[3-O-acetyl-6-O-(1,1-dimethylprop-2-en-1-yl)-alpha-D-glucopyranosyl]oxy}-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]propyl acetateDTXSID80896943((2S)-2-((1E,3R,4S,8R,9R,10R,11S,14S)-8-((2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl)oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo(9.3.0.03,7)tetradeca-1,6-dienyl)propyl) acetate(2S)-2-((1S,4R,5R,6R,6aS,9S,9aE,10aR)-4-((3-O-acetyl-6-O-(1,1-dimethylprop-2-en-1-yl)-alpha-D-glucopyranosyl)oxy)-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta(a,d)(8)annulen-3-yl)propyl acetateRefChem:607855DTXCID301326377Fusicoccin ACHEMBL4244843fuscicoccin AFSC
Data from PubChem (NCBI)
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