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Sinugibberol

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID ea712ffd-c3ed-4bd0-a718-48cbcd72d530
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 2-[(1R,2E,6R,8R,11E,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H32O3/c1-14-7-6-11-19(4)17(23-19)13-15(18(2,3)21)10-12-20(5)16(22-20)9-8-14/h7,13,16-17,21H,6,8-12H2,1-5H3/b14-7+,15-13+/t16-,17-,19-,20-/m1/s1
InChI Key TWVBIVWLBIJJLR-SEHGSVAUSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32O3
Molecular Weight 320.50 g/mol
Exact Mass 320.23514488 g/mol
Topological Polar Surface Area (TPSA) 45.30 Ų
XlogP 2.40

Synonyms

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2-[(1R,2E,6R,8R,11E,15R)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadeca-2,11-dien-3-yl]propan-2-ol
2-((1R,2E,6R,8R,11E,15R)-6,11,15-trimethyl-7,16-dioxatricyclo(13.1.0.06,8)hexadeca-2,11-dien-3-yl)propan-2-ol
RefChem:183179
CHEMBL525087

2D Structure

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2D Structure of Sinugibberol

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 97.23% 97.25%
CHEMBL230 P35354 Cyclooxygenase-2 91.82% 89.63%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.75% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.81% 91.11%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.54% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.73% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.84% 86.33%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.93% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.29% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.09% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.09% 100.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.04% 97.14%
CHEMBL5028 O14672 ADAM10 81.88% 97.50%
CHEMBL2581 P07339 Cathepsin D 81.51% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.09% 92.94%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 80.49% 90.93%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 80.44% 94.78%
CHEMBL4829 O00763 Acetyl-CoA carboxylase 2 80.04% 98.00%

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.
There are no matching plants.

Cross-Links

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PubChem 21585428
LOTUS LTS0220108
wikiData Q105266138