Kendomycin B

Details

Top
Internal ID 59e5b688-3c5c-415a-ac08-43cb27ee5769
Taxonomy Organoheterocyclic compounds > Benzofurans
IUPAC Name (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C29H42O5/c1-15-8-9-24-20(6)19(5)21(7)28(33-24)26-22-14-29(32,34-25(22)13-23(30)27(26)31)18(4)12-17(3)11-16(2)10-15/h10,13-15,17-21,24,28,31-32H,8-9,11-12H2,1-7H3/b16-10+/t15-,17+,18-,19-,20+,21+,24+,28+,29+/m0/s1
InChI Key KWKITCKAXYJDML-RPSOVOHRSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C29H42O5
Molecular Weight 470.60 g/mol
Exact Mass 470.30322444 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 5.00

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Kendomycin 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 98.68% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.35% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.76% 97.25%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.21% 99.23%
CHEMBL2581 P07339 Cathepsin D 91.89% 98.95%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 91.87% 90.93%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 85.75% 94.80%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 85.42% 93.03%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.68% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.46% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.32% 89.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.47% 92.94%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.30% 86.33%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.25% 93.40%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.72% 94.45%

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 145721314
LOTUS LTS0211995
wikiData Q105146989