(6R)-2-methyl-6-[(1R)-8-methyl-4-methylidenecyclodeca-2,7-dien-1-yl]hept-2-en-4-one

Details

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Internal ID 2c935945-5d6b-4c09-97d4-981f50e64446
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (6R)-2-methyl-6-[(1R)-8-methyl-4-methylidenecyclodeca-2,7-dien-1-yl]hept-2-en-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H30O/c1-15(2)13-20(21)14-18(5)19-11-9-16(3)7-6-8-17(4)10-12-19/h8-9,11,13,18-19H,3,6-7,10,12,14H2,1-2,4-5H3/t18-,19-/m1/s1
InChI Key SBHIRCGPIWGBMU-RTBURBONSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H30O
Molecular Weight 286.50 g/mol
Exact Mass 286.229665576 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 5.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (6R)-2-methyl-6-[(1R)-8-methyl-4-methylidenecyclodeca-2,7-dien-1-yl]hept-2-en-4-one

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 93.31% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.12% 96.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 90.24% 95.89%
CHEMBL2581 P07339 Cathepsin D 89.55% 98.95%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 88.02% 96.47%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.86% 95.56%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.26% 93.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.69% 97.25%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.68% 94.45%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.09% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 84.54% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.28% 89.00%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 82.14% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.94% 96.00%
CHEMBL4005 P42336 PI3-kinase p110-alpha subunit 81.76% 97.47%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 80.46% 83.10%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.44% 97.21%

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 162868024
LOTUS LTS0082160
wikiData Q105249439