4-Methoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-5-ol

Details

Top
Internal ID 68764841-5362-4c89-9a83-36eb78a713c6
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name 4-methoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-5-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H19NO2/c1-18-8-7-12-5-3-4-6-14(12)15-10-17(20-2)16(19)9-13(15)11-18/h3-6,9-10,19H,7-8,11H2,1-2H3
InChI Key ACBDSFHNUQINHT-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C17H19NO2
Molecular Weight 269.34 g/mol
Exact Mass 269.141578849 g/mol
Topological Polar Surface Area (TPSA) 32.70 Ų
XlogP 3.00

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 4-Methoxy-9-methyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-5-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.05% 96.09%
CHEMBL2056 P21728 Dopamine D1 receptor 96.56% 91.00%
CHEMBL2581 P07339 Cathepsin D 96.32% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.34% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.64% 91.11%
CHEMBL2535 P11166 Glucose transporter 93.64% 98.75%
CHEMBL4208 P20618 Proteasome component C5 92.55% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.43% 86.33%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 86.27% 93.65%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.64% 93.99%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.55% 94.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.45% 93.40%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.97% 95.89%
CHEMBL1951 P21397 Monoamine oxidase A 83.47% 91.49%
CHEMBL217 P14416 Dopamine D2 receptor 82.53% 95.62%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 82.29% 82.69%

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.
Crossyne flava

Cross-Links

Top
PubChem 10015908
LOTUS LTS0029892
wikiData Q104908998