(6Z)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol

Details

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Internal ID 5eb88f81-7f4a-49ee-8362-e5671f853243
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
IUPAC Name (6Z)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol
SMILES (Canonical) CC1=CCCC2(C(O2)C(C(CC1)C(C)C)O)C
SMILES (Isomeric) C/C/1=C/CCC2(C(O2)C(C(CC1)C(C)C)O)C
InChI InChI=1S/C15H26O2/c1-10(2)12-8-7-11(3)6-5-9-15(4)14(17-15)13(12)16/h6,10,12-14,16H,5,7-9H2,1-4H3/b11-6-
InChI Key KLQPHHIQARFSDE-WDZFZDKYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O2
Molecular Weight 238.37 g/mol
Exact Mass 238.193280068 g/mol
Topological Polar Surface Area (TPSA) 32.80 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (6Z)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol

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 95.02% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.98% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 90.22% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.03% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.70% 97.09%
CHEMBL2581 P07339 Cathepsin D 86.03% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.54% 97.25%
CHEMBL221 P23219 Cyclooxygenase-1 84.73% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.27% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.99% 89.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.76% 93.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.43% 95.89%
CHEMBL1871 P10275 Androgen Receptor 82.51% 96.43%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.27% 94.45%

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.
Pallenis spinosa
Santolina rosmarinifolia

Cross-Links

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PubChem 101967027
LOTUS LTS0092436
wikiData Q104397252