PlantaeDB Logo
Login Sign-up

Fusicoccin

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

Top
Internal ID 1a941620-79cc-4055-80ca-e5e68795aaae
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides
IUPAC Name [(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
SMILES (Canonical) CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC
SMILES (Isomeric) C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC
InChI InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
InChI Key KXTYBXCEQOANSX-WYKQKOHHSA-N
Popularity 196 references in papers

Physical and Chemical Properties

Top
Molecular Formula C36H56O12
Molecular Weight 680.80 g/mol
Exact Mass 680.37717722 g/mol
Topological Polar Surface Area (TPSA) 170.00 Ų
XlogP 1.00

Synonyms

Top
Fusicoccin A
20108-30-9
CHEMBL4244843
(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 acetate
Fusicoccin-A
[(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
fuscicoccin A
FSC
1o9e
CHEBI:51015
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Fusicoccin

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL4105899 P63104 14-3-3 protein zeta/delta 700 nM
 Kd
 via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.54% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 99.09% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.77% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.22% 94.45%
CHEMBL2581 P07339 Cathepsin D 96.75% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.06% 97.25%
CHEMBL3401 O75469 Pregnane X receptor 92.08% 94.73%
CHEMBL1951 P21397 Monoamine oxidase A 92.02% 91.49%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.46% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.02% 97.09%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 88.65% 92.88%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.89% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.17% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.58% 95.56%
CHEMBL340 P08684 Cytochrome P450 3A4 85.36% 91.19%
CHEMBL5255 O00206 Toll-like receptor 4 85.33% 92.50%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.60% 100.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.50% 94.33%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 84.01% 91.24%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 83.87% 89.34%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 83.28% 100.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.26% 95.89%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.70% 97.14%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.43% 100.00%
CHEMBL5028 O14672 ADAM10 81.77% 97.50%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.71% 92.62%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.49% 91.07%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.47% 93.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.67% 96.00%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 447573
LOTUS LTS0068080
wikiData Q56261223