Cedr-8-en-13-ol

Details

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Internal ID c4582999-1206-48fc-bb26-a773297d6043
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Cedrane and isocedrane sesquiterpenoids
IUPAC Name (2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl)methanol
SMILES (Canonical) CC1CCC2C13CC=C(C(C3)C2(C)CO)C
SMILES (Isomeric) CC1CCC2C13CC=C(C(C3)C2(C)CO)C
InChI InChI=1S/C15H24O/c1-10-6-7-15-8-12(10)14(3,9-16)13(15)5-4-11(15)2/h6,11-13,16H,4-5,7-9H2,1-3H3
InChI Key PPTXKCYXNDLKTQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O
Molecular Weight 220.35 g/mol
Exact Mass 220.182715385 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.40

Synonyms

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Cedr-8-en-13-ol
Cedren-13-ol, 8-
8-Cedrene-13-ol
SCHEMBL8738320
PPTXKCYXNDLKTQ-UHFFFAOYSA-N
Cedr-8-en-13-ol, (-)-
Q67879655

2D Structure

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2D Structure of Cedr-8-en-13-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.62% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.64% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.61% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.12% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.96% 95.89%
CHEMBL3492 P49721 Proteasome Macropain subunit 84.76% 90.24%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.11% 100.00%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 83.73% 86.00%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 83.36% 93.04%
CHEMBL2996 Q05655 Protein kinase C delta 81.86% 97.79%
CHEMBL2581 P07339 Cathepsin D 81.53% 98.95%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.69% 96.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.09% 95.56%

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.
Aucklandia costus
Inula helenium
Juniperus foetidissima
Juniperus recurva
Juniperus thurifera
Zingiber officinale

Cross-Links

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PubChem 519545
NPASS NPC136555
LOTUS LTS0046199
wikiData Q67879655