1,7,11-Trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol

Details

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Internal ID d0dd8bb4-8588-4ee3-9f80-b3132a3b4777
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H32O2/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19-20(5,22-19)18(21)13-17/h8-9,17-19,21H,1,6-7,10-13H2,2-5H3
InChI Key WRTAVCMHCGQYIV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32O2
Molecular Weight 304.50 g/mol
Exact Mass 304.240230259 g/mol
Topological Polar Surface Area (TPSA) 32.80 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,7,11-Trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-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 98.28% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.24% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.89% 97.25%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.63% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.29% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.49% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.29% 89.00%
CHEMBL1871 P10275 Androgen Receptor 84.11% 96.43%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.63% 85.14%
CHEMBL218 P21554 Cannabinoid CB1 receptor 83.39% 96.61%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.27% 95.89%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.41% 97.21%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.31% 96.95%

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 72974842
LOTUS LTS0137515
wikiData Q105311565