Coprinastatin 1

Details

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Internal ID d8005144-adc4-44db-a569-d62c903ceea6
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols
IUPAC Name (2R,3aS,4R)-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3,3a,4-tetrahydroindene-6,1'-cyclopropane]-4-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H22O2/c1-9-11-6-14(3,8-16)7-12(11)13(17)10(2)15(9)4-5-15/h12-13,16-17H,2,4-8H2,1,3H3/t12-,13-,14-/m0/s1
InChI Key XUXXDJLUAMCRLH-IHRRRGAJSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22O2
Molecular Weight 234.33 g/mol
Exact Mass 234.161979940 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 1.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Coprinastatin 1

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.02% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.68% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 90.92% 90.17%
CHEMBL218 P21554 Cannabinoid CB1 receptor 88.43% 96.61%
CHEMBL226 P30542 Adenosine A1 receptor 87.68% 95.93%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.55% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.67% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.58% 91.11%
CHEMBL1871 P10275 Androgen Receptor 82.73% 96.43%
CHEMBL1977 P11473 Vitamin D receptor 82.08% 99.43%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.48% 96.95%

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 139587878
LOTUS LTS0197167
wikiData Q105342709