(-)-(7S,10S)-7-hydroxyeudesm-4-en-6-one

Details

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Internal ID 41485b4e-ad7d-45ee-8693-07f755d62294
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
IUPAC Name (2R,4aR)-2-hydroxy-4a,8-dimethyl-2-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-one
SMILES (Canonical) CC1=C2C(=O)C(CCC2(CCC1)C)(C(C)C)O
SMILES (Isomeric) CC1=C2C(=O)[C@@](CC[C@]2(CCC1)C)(C(C)C)O
InChI InChI=1S/C15H24O2/c1-10(2)15(17)9-8-14(4)7-5-6-11(3)12(14)13(15)16/h10,17H,5-9H2,1-4H3/t14-,15-/m1/s1
InChI Key ZANHXCFRKGGJIZ-HUUCEWRRSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O2
Molecular Weight 236.35 g/mol
Exact Mass 236.177630004 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 3.20

Synonyms

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(-)-(7S,10S)-7-hydroxyeudesm-4-en-6-one

2D Structure

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2D Structure of (-)-(7S,10S)-7-hydroxyeudesm-4-en-6-one

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
CHEMBL2581 P07339 Cathepsin D 92.77% 98.95%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 92.39% 96.38%
CHEMBL1937 Q92769 Histone deacetylase 2 91.69% 94.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.68% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.49% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.33% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.78% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.06% 97.25%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.61% 93.99%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.00% 93.03%
CHEMBL5103 Q969S8 Histone deacetylase 10 82.25% 90.08%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 80.57% 93.04%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.27% 99.23%

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.
Chloranthus serratus

Cross-Links

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PubChem 91750135
LOTUS LTS0053282
wikiData Q105369958