Wickerol A

Details

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Internal ID f8bc7404-12fe-4e18-b31b-4b5cd6e0a1e1
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes
IUPAC Name (1R,4S,5S,8S,10S,13R,14R)-4,8,13,15,15-pentamethyltetracyclo[6.5.1.11,10.05,14]pentadecan-4-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H34O/c1-13-6-7-14-12-18(4)9-8-15-16(18)20(13,17(14,2)3)11-10-19(15,5)21/h13-16,21H,6-12H2,1-5H3/t13-,14+,15+,16-,18+,19+,20-/m1/s1
InChI Key RLFWGQVIKYIGGM-VBXVDEENSA-N
Popularity 3 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 5.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Wickerol A

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 95.72% 96.09%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 93.24% 89.05%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.11% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.26% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.30% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.88% 92.94%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 85.71% 82.69%
CHEMBL259 P32245 Melanocortin receptor 4 85.11% 95.38%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 84.82% 91.03%
CHEMBL221 P23219 Cyclooxygenase-1 83.20% 90.17%
CHEMBL1871 P10275 Androgen Receptor 82.95% 96.43%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 82.87% 96.38%
CHEMBL237 P41145 Kappa opioid receptor 82.26% 98.10%
CHEMBL2996 Q05655 Protein kinase C delta 81.77% 97.79%
CHEMBL299 P17252 Protein kinase C alpha 81.68% 98.03%

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 71499837
LOTUS LTS0101368
wikiData Q77493894