14,15-Dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

Details

Top
Internal ID fc0f6d30-8dbe-49eb-80b9-ae4921a31579
Taxonomy Alkaloids and derivatives > Aristolactams
IUPAC Name 14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H15NO3/c1-19-13-8-10-6-4-5-7-11(10)16-15(13)12(18(19)20)9-14(21-2)17(16)22-3/h4-9H,1-3H3
InChI Key DPJMELSPGMOETA-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H15NO3
Molecular Weight 293.30 g/mol
Exact Mass 293.10519334 g/mol
Topological Polar Surface Area (TPSA) 38.80 Ų
XlogP 3.50

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 14,15-Dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.17% 95.56%
CHEMBL4302 P08183 P-glycoprotein 1 96.01% 92.98%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.03% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.40% 91.11%
CHEMBL2581 P07339 Cathepsin D 92.40% 98.95%
CHEMBL2535 P11166 Glucose transporter 92.16% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.00% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.89% 96.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.36% 93.99%
CHEMBL214 P08908 Serotonin 1a (5-HT1a) receptor 88.86% 92.83%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 86.98% 96.67%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 85.92% 92.67%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 85.69% 80.78%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.45% 99.23%
CHEMBL4208 P20618 Proteasome component C5 84.79% 90.00%
CHEMBL2056 P21728 Dopamine D1 receptor 84.65% 91.00%
CHEMBL1255126 O15151 Protein Mdm4 82.21% 90.20%
CHEMBL1907 P15144 Aminopeptidase N 81.17% 93.31%

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.
Houttuynia cordata
Piper caldense

Cross-Links

Top
PubChem 21680139
LOTUS LTS0099486
wikiData Q104986534