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Claenone

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID bce69ed1-192e-4a16-8a60-ad4b87a69c29
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones
IUPAC Name (1R,3R,8Z)-1,5,9-trimethyl-13-propan-2-ylidene-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-14-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H30O2/c1-13(2)18-15-9-8-14(3)7-6-10-20(5)17(22-20)12-19(15,4)11-16(18)21/h7,15,17H,6,8-12H2,1-5H3/b14-7-/t15?,17-,19+,20?/m1/s1
InChI Key WIQJIYQQVYRKPQ-KAGDPKRISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H30O2
Molecular Weight 302.50 g/mol
Exact Mass 302.224580195 g/mol
Topological Polar Surface Area (TPSA) 29.60 Ų
XlogP 4.20

Synonyms

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NSC624589
112790-42-8
DTXSID80420040
NSC-624589
Cyclopenta[4,2-b]oxiren-9(1aH)-one, 2,3,6,7,7a,8,10,10a,11,11a-decahydro-1a,5,10a-trimethyl- 8-(1-methylethylidene)-, [1aR-(1aR*,4E,7aS*,10aR*,11aR*)]-
Cyclopenta[4,2-b]oxiren-9(1aH)-one, 2,3,6,7,7a,8,10,10a,11,11a-decahydro-1a,5,10a-trimethyl-8-(1-methylethylidene)-, (1aR,4E,7aS,10aR,11aR)-

2D Structure

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2D Structure of Claenone

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.17% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.22% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.70% 99.23%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.88% 85.14%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.87% 100.00%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 86.11% 93.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.86% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.53% 97.09%
CHEMBL2581 P07339 Cathepsin D 85.30% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.66% 89.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.27% 97.25%
CHEMBL259 P32245 Melanocortin receptor 4 83.45% 95.38%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.81% 93.40%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.56% 94.45%
CHEMBL218 P21554 Cannabinoid CB1 receptor 81.22% 96.61%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 81.16% 96.21%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.22% 95.89%
CHEMBL4208 P20618 Proteasome component C5 80.09% 90.00%

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 5459116
LOTUS LTS0132763
wikiData Q82231294