alpha-Phellandral

Details

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Internal ID cbaed76b-b069-4639-a861-4a1144a072d7
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
IUPAC Name 4-propan-2-ylcyclohexa-1,5-diene-1-carbaldehyde
SMILES (Canonical) CC(C)C1CC=C(C=C1)C=O
SMILES (Isomeric) CC(C)C1CC=C(C=C1)C=O
InChI InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-5,7-8,10H,6H2,1-2H3
InChI Key IHMUIEIWVVHVHY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H14O
Molecular Weight 150.22 g/mol
Exact Mass 150.104465066 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 2.50

Synonyms

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IHMUIEIWVVHVHY-UHFFFAOYSA-N

2D Structure

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2D Structure of alpha-Phellandral

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.26% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.08% 97.25%
CHEMBL2581 P07339 Cathepsin D 86.52% 98.95%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 84.59% 98.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.78% 96.09%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.98% 90.71%
CHEMBL4208 P20618 Proteasome component C5 81.93% 90.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.79% 90.24%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.52% 93.56%

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.
Eucalyptus globulus

Cross-Links

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PubChem 45095810
LOTUS LTS0173256
wikiData Q105113141