4,10-Dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol

Details

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Internal ID faffde1a-6229-45cb-b9a1-b114b5e37b51
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes
IUPAC Name 4,10-dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H22Br2O/c1-9-5-6-15(8-11(9)16)10(2)7-12(18)13(17)14(15,3)4/h7,12-13,18H,5-6,8H2,1-4H3
InChI Key QRVGGXHFBGZNEV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22Br2O
Molecular Weight 378.14 g/mol
Exact Mass 378.00169 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,10-Dibromo-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-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
CHEMBL221 P23219 Cyclooxygenase-1 90.95% 90.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.35% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.01% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.57% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.34% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.57% 92.94%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.36% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.37% 97.09%
CHEMBL1951 P21397 Monoamine oxidase A 80.62% 91.49%
CHEMBL1937 Q92769 Histone deacetylase 2 80.43% 94.75%

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 162995572
LOTUS LTS0073901
wikiData Q105226662