Kauran-16-ol

Details

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Internal ID 3e6cc66d-baa8-4c99-8cea-d3d5c1a9bdf6
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids
IUPAC Name 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
SMILES (Canonical) CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(C)O)C)C
SMILES (Isomeric) CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(C)O)C)C
InChI InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3
InChI Key FZSRMADKTOBCNT-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C20H34O
Molecular Weight 290.50 g/mol
Exact Mass 290.260965704 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.90

Synonyms

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5524-17-4
Ceruchinol
Kauran-16.alpha.-ol
(-)-16.alpha.-Kauranol
(-)-Kauran-16.alpha.-ol
(ent-16alpha)-16-Kauranol
(-)-16.alpha.-Hydroxykaurane
DTXSID20347585
FZSRMADKTOBCNT-UHFFFAOYSA-N
NSC264878

2D Structure

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2D Structure of Kauran-16-ol

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 97.69% 97.25%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 95.12% 96.38%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.16% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.80% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.32% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.11% 100.00%
CHEMBL4370 P16662 UDP-glucuronosyltransferase 2B7 83.33% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.62% 95.89%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 82.49% 95.50%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 82.36% 82.69%
CHEMBL3012 Q13946 Phosphodiesterase 7A 82.06% 99.29%
CHEMBL259 P32245 Melanocortin receptor 4 82.04% 95.38%
CHEMBL237 P41145 Kappa opioid receptor 81.74% 98.10%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 81.51% 91.79%
CHEMBL218 P21554 Cannabinoid CB1 receptor 81.48% 96.61%
CHEMBL1907601 P11802 Cyclin-dependent kinase 4/cyclin D1 81.32% 98.99%
CHEMBL5600 P27448 Serine/threonine-protein kinase c-TAK1 80.67% 88.81%

Cross-Links

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PubChem 623309
LOTUS LTS0198548
wikiData Q82121663