2-O-acetylaltersolanol L

Details

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Internal ID 5e041bd6-a785-4439-a12b-f57982b636db
Taxonomy Benzenoids > Anthracenes
IUPAC Name [(2R,3S,4R,4aS,9aS,10R)-3,4,8,10-tetrahydroxy-6-methoxy-3-methyl-9-oxo-1,2,4,4a,9a,10-hexahydroanthracen-2-yl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H22O8/c1-7(19)26-12-6-10-14(17(23)18(12,2)24)16(22)9-4-8(25-3)5-11(20)13(9)15(10)21/h4-5,10,12,14,16-17,20,22-24H,6H2,1-3H3/t10-,12+,14-,16-,17+,18+/m0/s1
InChI Key JOCYAISYJVQQMF-LGYFHBSQSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H22O8
Molecular Weight 366.40 g/mol
Exact Mass 366.13146766 g/mol
Topological Polar Surface Area (TPSA) 134.00 Ų
XlogP 0.00

Synonyms

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CHEMBL3335043

2D Structure

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2D Structure of 2-O-acetylaltersolanol L

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 99.15% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.29% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.67% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.45% 94.45%
CHEMBL340 P08684 Cytochrome P450 3A4 95.06% 91.19%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.11% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.63% 97.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.75% 99.15%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.94% 89.00%
CHEMBL4208 P20618 Proteasome component C5 88.25% 90.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 87.74% 91.07%
CHEMBL2581 P07339 Cathepsin D 87.67% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.72% 92.94%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.67% 86.33%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.47% 92.62%
CHEMBL2535 P11166 Glucose transporter 82.71% 98.75%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 81.88% 92.68%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.79% 99.23%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.61% 97.14%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.32% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.23% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.93% 94.00%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 80.08% 96.77%

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 118714205
LOTUS LTS0100688
wikiData Q77373707