Enokipodin C

Details

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Internal ID 0a3088a2-7999-485c-bd3c-1dd9670f8aa9
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans
IUPAC Name (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3/t12-,14+,15-/m1/s1
InChI Key DHKFEYFQGRWJNR-VHDGCEQUSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O4
Molecular Weight 264.32 g/mol
Exact Mass 264.13615911 g/mol
Topological Polar Surface Area (TPSA) 69.90 Ų
XlogP 2.30

Synonyms

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1I8NF6NJ8D
359701-26-1
(2R,4R,5R)-4,5-Dihydro-5,8,10,10-tetramethyl-2,5-methano-1-benzoxepin-2,4,7(3H)-triol
2,5-Methano-1-benzoxepin-2,4,7(3H)-triol, 4,5-dihydro-5,8,10,10-tetramethyl-, (2R,4R,5R)-
(1R,9R,11R)-1,5,12,12-Tetramethyl-8-oxatricyclo(7.2.1.0(2,7))dodeca-2,4,6-triene-4,9,11-triol
(1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
(1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo(7.2.1.02,7)dodeca-2(7),3,5-triene-4,9,11-triol
RefChem:136967
UNII-1I8NF6NJ8D
CHEMBL511129
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Enokipodin C

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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 98.07% 91.11%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 90.74% 93.40%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.98% 92.94%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.12% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.79% 89.00%
CHEMBL4208 P20618 Proteasome component C5 85.78% 90.00%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 85.64% 90.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.27% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.92% 96.09%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 83.64% 90.93%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 82.10% 91.79%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.99% 97.09%
CHEMBL1951 P21397 Monoamine oxidase A 80.94% 91.49%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 11043646
LOTUS LTS0084436
wikiData Q104980282