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Scytalol A

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 7e01cf45-de83-4e52-be65-6fce78b7ffe9
Taxonomy Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones
IUPAC Name (3S,5R)-3,5,9-trihydroxy-7-methoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H18O6/c1-15(19)5-9-10(6-21-15)14(18)12-8(13(9)17)3-7(20-2)4-11(12)16/h3-4,9-10,13,16-17,19H,5-6H2,1-2H3/t9?,10?,13-,15-/m0/s1
InChI Key GGAUEUZYPJSVMZ-NDQGGDCISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H18O6
Molecular Weight 294.30 g/mol
Exact Mass 294.11033829 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 0.70

Synonyms

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(3S,5R)-3,5,9-trihydroxy-7-methoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one
(3S,4aR,5R,10aS)-3,5,9-trihydroxy-7-methoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo(g)isochromen-10-one
(3S,4aR,5R,10aS)-3,5,9-trihydroxy-7-methoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo[g]isochromen-10-one
(3S,5R)-3,5,9-trihydroxy-7-methoxy-3-methyl-4,4a,5,10a-tetrahydro-1H-benzo(g)isochromen-10-one
208183-19-1
RefChem:182054
CHEBI:203336

2D Structure

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2D Structure of Scytalol A

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 99.44% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.30% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.93% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.13% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.49% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.80% 89.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 89.76% 91.07%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.71% 99.15%
CHEMBL2581 P07339 Cathepsin D 89.69% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.17% 92.94%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 88.96% 92.68%
CHEMBL4208 P20618 Proteasome component C5 87.55% 90.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.47% 97.09%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 87.44% 97.14%
CHEMBL340 P08684 Cytochrome P450 3A4 86.68% 91.19%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.48% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.65% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.50% 99.23%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.53% 92.62%
CHEMBL2535 P11166 Glucose transporter 80.08% 98.75%

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 139584855
LOTUS LTS0135629
wikiData Q77376983