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Oidiolactone F

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 558dab13-1cd7-41e8-90aa-489ad06eefe1
Taxonomy Organoheterocyclic compounds > Naphthopyrans
IUPAC Name (6aR,7S,10aS,10bS)-10b-hydroxy-7,10a-dimethyl-2-oxo-4,6,6a,8,9,10-hexahydro-1H-benzo[f]isochromene-7-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H22O5/c1-14(13(18)19)6-3-7-15(2)11(14)5-4-10-9-21-12(17)8-16(10,15)20/h4,11,20H,3,5-9H2,1-2H3,(H,18,19)/t11-,14-,15-,16+/m0/s1
InChI Key HGTFPKUWRGLEDZ-VCOSZWKGSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H22O5
Molecular Weight 294.34 g/mol
Exact Mass 294.14672380 g/mol
Topological Polar Surface Area (TPSA) 83.80 Ų
XlogP 0.90

Synonyms

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(6AR,7S,10as,10BS)-10b-hydroxy-7,10a-dimethyl-2-oxo-1H,2H,4H,6H,6ah,7H,8H,9H,10H,10ah,10BH-naphtho(2,1-c)pyran-7-carboxylate
(6AR,7S,10as,10BS)-10b-hydroxy-7,10a-dimethyl-2-oxo-1H,2H,4H,6H,6ah,7H,8H,9H,10H,10ah,10BH-naphtho[2,1-c]pyran-7-carboxylate
(6aR,7S,10aS,10bS)-10b-hydroxy-7,10a-dimethyl-2-oxo-4,6,6a,8,9,10-hexahydro-1H-benzo(f)isochromene-7-carboxylic acid
(6aR,7S,10aS,10bS)-10b-hydroxy-7,10a-dimethyl-2-oxo-4,6,6a,8,9,10-hexahydro-1H-benzo[f]isochromene-7-carboxylic acid
RefChem:168011
248594-43-6
CHEBI:212366
(6aR,7S,10aS,10bS)-10b-hydroxy-7,10a-dimethyl-2-oxo-4,6,6a,8,9,10-hexahydro-1H-benzo[]isochromene-7-carboxylic acid

2D Structure

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2D Structure of Oidiolactone F

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 92.57% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.79% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.33% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.63% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.30% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.15% 99.23%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.70% 100.00%
CHEMBL2581 P07339 Cathepsin D 84.37% 98.95%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.04% 96.77%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.50% 96.09%
CHEMBL340 P08684 Cytochrome P450 3A4 80.51% 91.19%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.03% 97.25%

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 10708921
LOTUS LTS0239867
wikiData Q77494353