(6Z,10R)-7-methyl-10-[(2R)-6-methylhept-5-en-2-yl]-5,8,9,10-tetrahydro-4H-cyclonona[c]furan

Details

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Internal ID 2cfc450f-72e3-4cb3-b72a-a87c48a480ce
Taxonomy Organoheterocyclic compounds > Heteroaromatic compounds
IUPAC Name (6Z,10R)-7-methyl-10-[(2R)-6-methylhept-5-en-2-yl]-5,8,9,10-tetrahydro-4H-cyclonona[c]furan
SMILES (Canonical) CC1=CCCC2=COC=C2C(CC1)C(C)CCC=C(C)C
SMILES (Isomeric) C/C/1=C/CCC2=COC=C2[C@H](CC1)[C@H](C)CCC=C(C)C
InChI InChI=1S/C20H30O/c1-15(2)7-5-9-17(4)19-12-11-16(3)8-6-10-18-13-21-14-20(18)19/h7-8,13-14,17,19H,5-6,9-12H2,1-4H3/b16-8-/t17-,19-/m1/s1
InChI Key GMTKEPFGCNZLDV-BLUWKUTNSA-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) 13.10 Ų
XlogP 6.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (6Z,10R)-7-methyl-10-[(2R)-6-methylhept-5-en-2-yl]-5,8,9,10-tetrahydro-4H-cyclonona[c]furan

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
CHEMBL2581 P07339 Cathepsin D 94.42% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.91% 91.11%
CHEMBL3359 P21462 Formyl peptide receptor 1 91.55% 93.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.93% 97.25%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.94% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.75% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.22% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.43% 96.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 84.75% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.98% 90.71%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.62% 93.99%
CHEMBL3401 O75469 Pregnane X receptor 81.97% 94.73%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.91% 97.09%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 81.24% 83.10%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.46% 89.00%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 80.23% 98.75%

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 23426810
LOTUS LTS0055878
wikiData Q105012164