Strepsesquitriol

Details

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Internal ID 61c9fa9a-2b5f-480a-9e64-461cf8b2dd57
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
IUPAC Name (1R,2R,4S,5S,8S,10S)-4,9,9,10-tetramethyltricyclo[6.2.1.01,5]undecane-2,5,10-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H26O3/c1-9-7-11(16)14-8-10(5-6-15(9,14)18)12(2,3)13(14,4)17/h9-11,16-18H,5-8H2,1-4H3/t9-,10-,11+,13-,14-,15-/m0/s1
InChI Key DFLGYWIGWAMCGS-ZFMHXWJXSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O3
Molecular Weight 254.36 g/mol
Exact Mass 254.18819469 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 1.50

Synonyms

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CHEMBL3092859
SCHEMBL18327899
(1r,2r,4s,5s,8s,10s)-4,9,9,10-tetramethyl-2,5,10-trihydroxytricyclo[6.2.1.0(1,5)] undecane

2D Structure

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2D Structure of Strepsesquitriol

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
CHEMBL206 P03372 Estrogen receptor alpha 94.70% 97.64%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.05% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.62% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.40% 97.09%
CHEMBL226 P30542 Adenosine A1 receptor 87.75% 95.93%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.33% 100.00%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 86.50% 96.38%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 86.26% 89.05%
CHEMBL259 P32245 Melanocortin receptor 4 86.24% 95.38%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.11% 82.69%
CHEMBL1871 P10275 Androgen Receptor 86.06% 96.43%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 83.14% 95.58%
CHEMBL2996 Q05655 Protein kinase C delta 83.13% 97.79%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.65% 92.94%
CHEMBL221 P23219 Cyclooxygenase-1 81.64% 90.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.37% 91.11%

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 73603988
LOTUS LTS0205621
wikiData Q75064188