NoName_4347

Details

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Internal ID 10c39a83-1ac1-4e33-ac4c-cc2102b84169
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-one
SMILES (Canonical) CC1CC23C4CCCN2CCCC3C(CC4C1=O)O
SMILES (Isomeric) CC1CC23C4CCCN2CCCC3C(CC4C1=O)O
InChI InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3
InChI Key KYIYXWHVYGBAKF-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H25NO2
Molecular Weight 263.37 g/mol
Exact Mass 263.188529040 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 1.60

Synonyms

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DTXSID40903642

2D Structure

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2D Structure of NoName_4347

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 99.74% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.37% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.00% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.24% 97.09%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 89.63% 96.38%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.43% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.54% 97.25%
CHEMBL1951 P21397 Monoamine oxidase A 84.52% 91.49%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.47% 89.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.35% 92.94%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.27% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.50% 95.89%
CHEMBL226 P30542 Adenosine A1 receptor 82.23% 95.93%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 80.94% 93.04%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.69% 99.23%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 80.44% 96.03%

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 3524395
LOTUS LTS0082912
wikiData Q105147740