2,3-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

Details

Top
Internal ID b4ae9a9b-da0d-48cd-af88-34564af4aa03
Taxonomy Alkaloids and derivatives > Aporphines
IUPAC Name 2,3-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H19NO3/c1-21-17-12-7-8-19-13-9-10-5-3-4-6-11(10)15(14(12)13)16(20)18(17)22-2/h3-6,13,19-20H,7-9H2,1-2H3
InChI Key XLXSXOHBVGWKMT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H19NO3
Molecular Weight 297.30 g/mol
Exact Mass 297.13649347 g/mol
Topological Polar Surface Area (TPSA) 50.70 Ų
XlogP 2.60

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 2,3-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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
CHEMBL1951 P21397 Monoamine oxidase A 98.59% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.56% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.58% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.32% 98.95%
CHEMBL2056 P21728 Dopamine D1 receptor 93.60% 91.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.53% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.53% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.27% 95.56%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 87.76% 91.79%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 85.76% 95.64%
CHEMBL217 P14416 Dopamine D2 receptor 84.67% 95.62%
CHEMBL2535 P11166 Glucose transporter 84.11% 98.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.81% 95.89%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.76% 93.99%
CHEMBL4208 P20618 Proteasome component C5 83.63% 90.00%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.33% 92.68%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.27% 99.17%

Plants that contains it

Top
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.
Artabotrys hexapetalus

Cross-Links

Top
PubChem 10469906
LOTUS LTS0200343
wikiData Q105330524