1-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-6-methyl-9H-carbazol-2-ol

Details

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Internal ID 5e6e2be1-4245-4f6f-b679-538ad13ac5e3
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 1-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-6-methyl-9H-carbazol-2-ol
SMILES (Canonical) CC1=CC2=C(C=C1OC)NC3=C2C=CC(=C3CC=C(C)CCC=C(C)C)O
SMILES (Isomeric) CC1=CC2=C(C=C1OC)NC3=C2C=CC(=C3CC=C(C)CCC=C(C)C)O
InChI InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-22(26)12-11-18-20-13-17(4)23(27-5)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3
InChI Key RTEIBQDXHHQYRJ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H29NO2
Molecular Weight 363.50 g/mol
Exact Mass 363.219829168 g/mol
Topological Polar Surface Area (TPSA) 45.30 Ų
XlogP 7.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-6-methyl-9H-carbazol-2-ol

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 99.29% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.37% 94.45%
CHEMBL1951 P21397 Monoamine oxidase A 93.88% 91.49%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 92.82% 97.21%
CHEMBL1937 Q92769 Histone deacetylase 2 92.58% 94.75%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 92.29% 91.79%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 92.12% 98.11%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.66% 92.08%
CHEMBL213 P08588 Beta-1 adrenergic receptor 91.16% 95.56%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.95% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.57% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.56% 96.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.35% 89.62%
CHEMBL2581 P07339 Cathepsin D 88.53% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.37% 99.15%
CHEMBL241 Q14432 Phosphodiesterase 3A 88.06% 92.94%
CHEMBL255 P29275 Adenosine A2b receptor 88.02% 98.59%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.98% 86.33%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 85.00% 92.68%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 84.56% 95.70%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 84.52% 91.71%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.80% 85.14%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.55% 96.95%
CHEMBL2535 P11166 Glucose transporter 83.06% 98.75%
CHEMBL4208 P20618 Proteasome component C5 82.85% 90.00%
CHEMBL3401 O75469 Pregnane X receptor 82.67% 94.73%
CHEMBL4355 O14976 Serine/threonine-protein kinase GAK 82.08% 89.32%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.02% 94.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.57% 96.00%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 80.09% 85.30%

Plants that contains it

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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.
Murraya koenigii

Cross-Links

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PubChem 85080470
LOTUS LTS0108213
wikiData Q105245099