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Dictyophorine B

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 1c01f4dd-9a23-43ab-bf70-f29e67634bc8
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
IUPAC Name (2R,4aR,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-3,4,5,8a-tetrahydro-2H-naphthalene-1,6-dione
SMILES (Canonical) CC1=CC(=O)CC2(C1C(=O)C(CC2)C(=C)C)C
SMILES (Isomeric) CC1=CC(=O)C[C@@]2([C@H]1C(=O)[C@H](CC2)C(=C)C)C
InChI InChI=1S/C15H20O2/c1-9(2)12-5-6-15(4)8-11(16)7-10(3)13(15)14(12)17/h7,12-13H,1,5-6,8H2,2-4H3/t12-,13-,15-/m1/s1
InChI Key RHQXQCXSOLMDEY-UMVBOHGHSA-N
Popularity 1 reference 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) 34.10 Ų
XlogP 2.70

Synonyms

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DTXSID101336134
(2R,4Ar,8aR)-4a,8-dimethyl-2-prop-1-en-2-yl-3,4,5,8a-tetrahydro-2H-naphthalene-1,6-dione
177765-56-9
RefChem:133207
DTXCID301766260
SCHEMBL30787470
CHEBI:209859

2D Structure

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2D Structure of Dictyophorine B

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.96% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.22% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.88% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.60% 100.00%
CHEMBL2581 P07339 Cathepsin D 86.54% 98.95%
CHEMBL1871 P10275 Androgen Receptor 86.12% 96.43%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.94% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.53% 95.56%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.89% 93.40%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 83.68% 94.78%
CHEMBL1937 Q92769 Histone deacetylase 2 82.33% 94.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.14% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.89% 99.23%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 81.63% 93.04%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.02% 94.45%

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 10728295
LOTUS LTS0131554
wikiData Q77491390