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1-Desoxyhypnophilin

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 858c32b8-8816-45af-93b6-1af3eb6e8df9
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1S,3R,7R,8R,11S)-5,5,8-trimethyl-9-methylidene-12-oxatetracyclo[6.4.0.01,11.03,7]dodecan-10-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O2/c1-8-11(16)12-15(17-12)6-9-5-13(2,3)7-10(9)14(8,15)4/h9-10,12H,1,5-7H2,2-4H3/t9-,10-,12-,14+,15-/m1/s1
InChI Key QGOYASWEWJQUBT-DTFMEENKSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O2
Molecular Weight 232.32 g/mol
Exact Mass 232.146329876 g/mol
Topological Polar Surface Area (TPSA) 29.60 Ų
XlogP 3.30

Synonyms

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160492-64-8
Desoxyhypnophilin
1-Desoxy-hypnophilin
CHEMBL447608
DTXSID30936323
3a,5,5-Trimethyl-3-methylideneoctahydrocyclopenta[4,5]pentaleno[1,6a-b]oxiren-2(1aH)-one
(1S,3R,7R,8R,11S)-5,5,8-trimethyl-9-methylidene-12-oxatetracyclo[6.4.0.01,11.03,7]dodecan-10-one
Cyclopenta(4,5)pentaleno(1,6a-b)oxiren-2(1aH)-one, octahydro-3a,5,5-trimethyl-3-methylene-, (1aS-(1aalpha,3abeta,3balpha,6aalpha,7aR*))-
InChI=1/C15H20O2/c1-8-11(16)12-15(17-12)6-9-5-13(2,3)7-10(9)14(8,15)4/h9-10,12H,1,5-7H2,2-4H3/t9-,10-,12-,14+,15-/m1/s

2D Structure

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2D Structure of 1-Desoxyhypnophilin

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 91.47% 97.25%
CHEMBL221 P23219 Cyclooxygenase-1 89.56% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.55% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.60% 97.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.36% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.87% 96.09%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 81.83% 96.77%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.49% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.04% 94.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.76% 97.14%
CHEMBL2581 P07339 Cathepsin D 80.49% 98.95%

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 190953
LOTUS LTS0235404
wikiData Q77506025