(1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol

Details

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Internal ID 07ed0b18-e3fe-4229-9f56-4d74cd4be5e0
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols
IUPAC Name (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H22O/c1-11-6-4-8-12(2)10-14(15)13(3)9-5-7-11/h7-8,14-15H,3-6,9-10H2,1-2H3/b11-7+,12-8+/t14-/m1/s1
InChI Key NWBFVPGCVIAARR-PVBOWYOQSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C14H22O
Molecular Weight 206.32 g/mol
Exact Mass 206.167065321 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R,3E,7E)-3,7-dimethyl-11-methylidenecycloundeca-3,7-dien-1-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 88.88% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.34% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.03% 95.56%
CHEMBL2581 P07339 Cathepsin D 83.60% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.37% 97.25%

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 162843655
LOTUS LTS0084763
wikiData Q105186514