trans-Ocimenol

Details

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Internal ID a2885479-eb57-49c1-aee2-68b577a76902
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
IUPAC Name (5E)-2,6-dimethylocta-2,5,7-trien-4-ol
SMILES (Canonical) CC(=CC(C=C(C)C=C)O)C
SMILES (Isomeric) CC(=CC(/C=C(\C)/C=C)O)C
InChI InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-7,10-11H,1H2,2-4H3/b9-7+
InChI Key DUCHBDMNWUYHGL-VQHVLOKHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H16O
Molecular Weight 152.23 g/mol
Exact Mass 152.120115130 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.20

Synonyms

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iso-Ocimenol
DUCHBDMNWUYHGL-UHFFFAOYSA-N
Q67880137

2D Structure

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2D Structure of trans-Ocimenol

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.72% 85.14%
CHEMBL2581 P07339 Cathepsin D 86.41% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.05% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.59% 91.11%

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.
Vitis vinifera

Cross-Links

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PubChem 6430998
LOTUS LTS0195581
wikiData Q67880137