Pochonin F

Details

Top
Internal ID 7b59b19c-20fa-4472-a9e8-2d2a133eee09
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name (4S,6E,10E)-8,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H20O5/c1-12-5-2-7-14(19)8-4-9-15(20)11-13-6-3-10-16(21)17(13)18(22)23-12/h2-4,6-7,9-10,12,14,19,21H,5,8,11H2,1H3/b7-2+,9-4+/t12-,14?/m0/s1
InChI Key NIMIQOAJWDUION-PSSJVONPSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C18H20O5
Molecular Weight 316.30 g/mol
Exact Mass 316.13107373 g/mol
Topological Polar Surface Area (TPSA) 83.80 Ų
XlogP 2.90

Synonyms

Top
CHEMBL461398
(4E,8E,11S)-7,15-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),4,8,15,17-pentaene-3,13-dione
1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 3,4,7,8-tetrahydro-7,16-dihydroxy-3-methyl-, (3S)-

2D Structure

Top
2D Structure of Pochonin F

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.59% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 94.42% 91.49%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 94.35% 99.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.13% 91.11%
CHEMBL2581 P07339 Cathepsin D 92.18% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.57% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.38% 97.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.13% 93.99%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.64% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 83.24% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.17% 94.00%
CHEMBL4530 P00488 Coagulation factor XIII 82.57% 96.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.60% 91.07%
CHEMBL340 P08684 Cytochrome P450 3A4 81.48% 91.19%
CHEMBL4208 P20618 Proteasome component C5 81.03% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.70% 86.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.23% 90.71%

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 6478916
LOTUS LTS0025751
wikiData Q105179884