(2,6,12-Trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl)methanol

Details

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Internal ID 42e8fc1b-9466-4db4-9e7d-eb9ebb13300d
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Stemarane diterpenoids
IUPAC Name (2,6,12-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl)methanol
SMILES (Canonical) CC1=CC2CCC3C(CCCC3(C24CCC1C4)C)(C)CO
SMILES (Isomeric) CC1=CC2CCC3C(CCCC3(C24CCC1C4)C)(C)CO
InChI InChI=1S/C20H32O/c1-14-11-16-5-6-17-18(2,13-21)8-4-9-19(17,3)20(16)10-7-15(14)12-20/h11,15-17,21H,4-10,12-13H2,1-3H3
InChI Key TUSCOQSQOOTGAW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32O
Molecular Weight 288.50 g/mol
Exact Mass 288.245315640 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2,6,12-Trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl)methanol

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.80% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.80% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.34% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.73% 96.09%
CHEMBL1937 Q92769 Histone deacetylase 2 89.15% 94.75%
CHEMBL2581 P07339 Cathepsin D 86.97% 98.95%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.04% 82.69%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.54% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.83% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.02% 95.89%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 81.70% 95.50%

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.
Calceolaria lepida

Cross-Links

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PubChem 14757860
LOTUS LTS0219636
wikiData Q105264995