Steperoxide C

Details

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Internal ID 7b246897-e1d4-40a9-b2a1-c507886e5e1a
Taxonomy Organoheterocyclic compounds > Dioxanes > 1,2-dioxanes
IUPAC Name (1S,5S,6S,9R,10R)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecane-5,10-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H24O4/c1-12(2)6-5-11(16)13(3)14(12)7-4-9(15)10(8-14)17-18-13/h9-11,15-16H,4-8H2,1-3H3/t9-,10-,11+,13-,14+/m1/s1
InChI Key GEWREVZHQQLGGO-BLUODKFWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C14H24O4
Molecular Weight 256.34 g/mol
Exact Mass 256.16745924 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 1.60

Synonyms

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RefChem:932222
CHEBI:200203
(1S,5S,6S,9R,10R)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecane-5,10-diol

2D Structure

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2D Structure of Steperoxide 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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.44% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.33% 85.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.66% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.59% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.79% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.70% 97.09%
CHEMBL259 P32245 Melanocortin receptor 4 84.60% 95.38%

Plants that contains it

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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

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PubChem 139583953
LOTUS LTS0074057
wikiData Q75069667