Oblongolide Z

Details

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Internal ID 9f6846c4-6e1e-4ec4-8b12-d12f26eb9ba1
Taxonomy Organoheterocyclic compounds > Naphthofurans
IUPAC Name 1-[(1R,3aR,5aS,7R,9aR,9bS)-7,9b-dimethyl-1-(2-phenylethoxy)-3,3a,5a,6,7,8,9,9a-octahydrobenzo[g][2]benzofuran-1-yl]ethanone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H32O3/c1-17-9-12-22-20(15-17)10-11-21-16-27-24(18(2)25,23(21,22)3)26-14-13-19-7-5-4-6-8-19/h4-8,10-11,17,20-22H,9,12-16H2,1-3H3/t17-,20-,21+,22-,23-,24+/m1/s1
InChI Key WFMHAGOWQRBMPG-OWJFPWAGSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H32O3
Molecular Weight 368.50 g/mol
Exact Mass 368.23514488 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 5.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Oblongolide Z

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.73% 96.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 96.38% 94.62%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.81% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.36% 86.33%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.87% 97.25%
CHEMBL2581 P07339 Cathepsin D 88.64% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.83% 95.56%
CHEMBL221 P23219 Cyclooxygenase-1 87.08% 90.17%
CHEMBL5028 O14672 ADAM10 86.44% 97.50%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.30% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.06% 97.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.22% 99.17%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.65% 95.89%
CHEMBL3891 P07384 Calpain 1 80.85% 93.04%

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 139588051
LOTUS LTS0071884
wikiData Q105304036