(R)-3-chloro-6-hydroxy-8-methoxy-alpha-lapachone

Details

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Internal ID 2f743156-953c-44b6-bf15-b07e936926b1
Taxonomy Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones
IUPAC Name (3R)-3-chloro-6-hydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
SMILES (Canonical) CC1(C(CC2=C(O1)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)Cl)C
SMILES (Isomeric) CC1([C@@H](CC2=C(O1)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)Cl)C
InChI InChI=1S/C16H15ClO5/c1-16(2)11(17)6-9-13(19)12-8(14(20)15(9)22-16)4-7(21-3)5-10(12)18/h4-5,11,18H,6H2,1-3H3/t11-/m1/s1
InChI Key ODBXTRLSXWKGLK-LLVKDONJSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H15ClO5
Molecular Weight 322.74 g/mol
Exact Mass 322.0608013 g/mol
Topological Polar Surface Area (TPSA) 72.80 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (R)-3-chloro-6-hydroxy-8-methoxy-alpha-lapachone

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 98.62% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.16% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.17% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.31% 99.15%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.05% 96.09%
CHEMBL2581 P07339 Cathepsin D 90.68% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.57% 89.00%
CHEMBL4208 P20618 Proteasome component C5 89.15% 90.00%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 89.03% 92.68%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.95% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 88.88% 94.73%
CHEMBL340 P08684 Cytochrome P450 3A4 88.24% 91.19%
CHEMBL1951 P21397 Monoamine oxidase A 87.65% 91.49%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 87.44% 97.14%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.35% 92.94%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.22% 99.23%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 86.76% 95.53%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 86.29% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.03% 85.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.99% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 84.65% 91.07%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 84.51% 96.38%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.43% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.32% 86.33%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 83.61% 96.77%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 80.85% 96.00%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 80.53% 96.21%

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 24862003
LOTUS LTS0215690
wikiData Q77509521