Lactarazulene

Details

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Internal ID 8fde5f38-e935-404f-8c34-e3b2f6eaffce
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Guaianes
IUPAC Name 1,4-dimethyl-7-prop-1-en-2-ylazulene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3
InChI Key KFLXZUPIDNPCSD-UHFFFAOYSA-N
Popularity 23 references in papers

Physical and Chemical Properties

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Molecular Formula C15H16
Molecular Weight 196.29 g/mol
Exact Mass 196.125200510 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.00

Synonyms

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489-85-0
1,4-dimethyl-7-prop-1-en-2-ylazulene
GD5E5UK4YX
Azulene, 1,4-dimethyl-7-(1-methylethenyl)-
Azulene, 7-isopropenyl-1,4-dimethyl-
1,4-Dimethyl-7-(1-methylethenyl)azulene
UNII-GD5E5UK4YX
Lactarazulen
1,4-Dimethyl-7-isopropenylazulene
DTXSID90197635
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lactarazulene

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
CHEMBL1951 P21397 Monoamine oxidase A 98.35% 91.49%
CHEMBL260 Q16539 MAP kinase p38 alpha 96.71% 97.78%
CHEMBL3492 P49721 Proteasome Macropain subunit 92.28% 90.24%
CHEMBL2581 P07339 Cathepsin D 91.36% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.94% 86.33%
CHEMBL4208 P20618 Proteasome component C5 88.31% 90.00%
CHEMBL3961 Q15759 MAP kinase p38 beta 85.62% 94.75%
CHEMBL3401 O75469 Pregnane X receptor 84.42% 94.73%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.63% 97.21%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.41% 91.11%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.07% 93.65%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.07% 95.56%

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 3083592
LOTUS LTS0222443
wikiData Q83070445