5-(2-Hydroxypropan-2-yl)-2,8-dimethylcyclodeca-3,8-dien-1-ol

Details

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Internal ID e4f41da4-a152-49dd-9808-f0bf31676159
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
IUPAC Name 5-(2-hydroxypropan-2-yl)-2,8-dimethylcyclodeca-3,8-dien-1-ol
SMILES (Canonical) CC1C=CC(CCC(=CCC1O)C)C(C)(C)O
SMILES (Isomeric) CC1C=CC(CCC(=CCC1O)C)C(C)(C)O
InChI InChI=1S/C15H26O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h6-7,9,12-14,16-17H,5,8,10H2,1-4H3
InChI Key RBBWQOZTCXYKSH-UHFFFAOYSA-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) 40.50 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-(2-Hydroxypropan-2-yl)-2,8-dimethylcyclodeca-3,8-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 95.83% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.79% 97.25%
CHEMBL2581 P07339 Cathepsin D 85.61% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.74% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 83.65% 94.73%
CHEMBL1871 P10275 Androgen Receptor 82.72% 96.43%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.10% 95.89%

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 162965381
LOTUS LTS0089740
wikiData Q104196430