PlantaeDB Logo
Login Sign-up

Fusaquinon A

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 07831187-fc56-4657-8f75-c7d8020f8b3a
Taxonomy Organoheterocyclic compounds > Naphthofurans
IUPAC Name (1S,9R,11S,12R,14S)-3,6,11-trihydroxy-4-methoxy-12-methyl-15-oxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one
SMILES (Canonical) CC12CC3C(CC1O)C(=O)C4=C(C3O2)C(=C(C=C4O)OC)O
SMILES (Isomeric) C[C@@]12C[C@H]3[C@@H](C[C@@H]1O)C(=O)C4=C([C@H]3O2)C(=C(C=C4O)OC)O
InChI InChI=1S/C16H18O6/c1-16-5-7-6(3-10(16)18)13(19)11-8(17)4-9(21-2)14(20)12(11)15(7)22-16/h4,6-7,10,15,17-18,20H,3,5H2,1-2H3/t6-,7+,10+,15+,16-/m1/s1
InChI Key WPLIPFAJQQFGPR-ILHBECBZSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C16H18O6
Molecular Weight 306.31 g/mol
Exact Mass 306.11033829 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 1.10

Synonyms

Top
CHEMBL5172533
SCHEMBL23522408
(1S,9R,11S,12R,14S)-3,6,11-trihydroxy-4-methoxy-12-methyl-15-oxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one

2D Structure

Top
2D Structure of Fusaquinon A

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
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.50% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.24% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.61% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.14% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.16% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.13% 92.94%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.01% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.83% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.34% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.95% 94.45%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.84% 95.50%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.07% 99.23%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 85.13% 92.62%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 84.97% 96.21%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.53% 95.89%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.36% 97.14%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.72% 100.00%
CHEMBL218 P21554 Cannabinoid CB1 receptor 80.34% 96.61%

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 25269705
LOTUS LTS0065947
wikiData Q77492318