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
Popularity 0 references in papers

Physical and Chemical Properties

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


There are no found synonyms.

2D Structure

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

3D Structure


ADMET Properties (via admetSAR 2)

Target Value Probability (raw) Probability (%)
No predicted properties yet!



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

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.


PubChem 24862003
LOTUS LTS0215690
wikiData Q77509521