Radicicol B

Details

Top
Internal ID fe8dadcd-7f7b-469b-869e-1113aad215e9
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name (4R)-15-chloro-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),8,10,15,17-pentaene-2,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H19ClO7/c1-9-6-13(22)12(21)5-3-2-4-10(20)7-11-16(18(25)26-9)14(23)8-15(24)17(11)19/h2-5,8-9,12-13,21-24H,6-7H2,1H3/t9-,12?,13?/m1/s1
InChI Key CLGQXJMBZGYSJL-UHEGKEBESA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H19ClO7
Molecular Weight 382.80 g/mol
Exact Mass 382.0819306 g/mol
Topological Polar Surface Area (TPSA) 124.00 Ų
XlogP 2.40

Synonyms

Top
RefChem:178541

2D Structure

Top
2D Structure of Radicicol B

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 99.56% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.09% 91.49%
CHEMBL2581 P07339 Cathepsin D 94.06% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.74% 97.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.55% 95.56%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 89.68% 96.77%
CHEMBL4208 P20618 Proteasome component C5 87.30% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.19% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 86.94% 94.73%
CHEMBL2535 P11166 Glucose transporter 84.87% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.51% 85.14%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 84.04% 96.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.28% 97.09%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 83.24% 96.21%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 82.35% 82.69%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.75% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.55% 90.71%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.33% 99.15%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.06% 89.00%

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 139587190
LOTUS LTS0084118
wikiData Q77559978