Korayol

Details

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Internal ID 83560e4e-9dbc-418f-94fa-e3bfa7110d00
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
IUPAC Name 2,6,10,10-tetramethyltricyclo[7.2.0.02,5]undecan-6-ol
SMILES (Canonical) CC1(CC2C1CCC(C3C2(CC3)C)(C)O)C
SMILES (Isomeric) CC1(CC2C1CCC(C3C2(CC3)C)(C)O)C
InChI InChI=1S/C15H26O/c1-13(2)9-11-10(13)5-8-15(4,16)12-6-7-14(11,12)3/h10-12,16H,5-9H2,1-4H3
InChI Key CPLGPDHGFNXBOA-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H26O
Molecular Weight 222.37 g/mol
Exact Mass 222.198365449 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.90

Synonyms

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2,6,10,10-Tetramethyltricyclo[7.2.0.02,5]undecan-6-ol, 9CI

2D Structure

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2D Structure of Korayol

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 96.92% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.88% 96.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 89.46% 82.69%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.46% 100.00%
CHEMBL221 P23219 Cyclooxygenase-1 86.23% 90.17%
CHEMBL1871 P10275 Androgen Receptor 85.90% 96.43%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.67% 97.09%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 84.24% 91.03%
CHEMBL4370 P16662 UDP-glucuronosyltransferase 2B7 82.10% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.59% 91.11%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.58% 92.94%
CHEMBL259 P32245 Melanocortin receptor 4 80.32% 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.
Pinus koraiensis

Cross-Links

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PubChem 14657397
LOTUS LTS0177403
wikiData Q104967629