Siamenol

Details

Top
Internal ID c7a9ca4d-1710-4148-b7c5-67cb9ad669c6
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 6-methyl-3-(3-methylbut-2-enyl)-9H-carbazol-2-ol
SMILES (Canonical) CC1=CC2=C(C=C1)NC3=C2C=C(C(=C3)O)CC=C(C)C
SMILES (Isomeric) CC1=CC2=C(C=C1)NC3=C2C=C(C(=C3)O)CC=C(C)C
InChI InChI=1S/C18H19NO/c1-11(2)4-6-13-9-15-14-8-12(3)5-7-16(14)19-17(15)10-18(13)20/h4-5,7-10,19-20H,6H2,1-3H3
InChI Key BBPNJGRZPSCZBB-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H19NO
Molecular Weight 265.30 g/mol
Exact Mass 265.146664230 g/mol
Topological Polar Surface Area (TPSA) 36.00 Ų
XlogP 5.30

Synonyms

Top
CHEBI:66479
6-methyl-3-(3-methylbut-2-enyl)-9H-carbazol-2-ol
6-methyl-3-(3-methylbut-2-en-1-yl)-9H-carbazol-2-ol
264622-44-8
CHEMBL444482
SCHEMBL3127873
6-Methyl-3-(3-methyl-but-2-enyl)-9H-carbazol-2-ol
Q27135080

2D Structure

Top
2D Structure of Siamenol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.92% 91.11%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 96.80% 91.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.66% 94.45%
CHEMBL2581 P07339 Cathepsin D 92.86% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.80% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 90.16% 94.73%
CHEMBL1951 P21397 Monoamine oxidase A 89.38% 91.49%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.95% 85.14%
CHEMBL1937 Q92769 Histone deacetylase 2 87.67% 94.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.92% 96.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.67% 89.62%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.79% 93.99%
CHEMBL255 P29275 Adenosine A2b receptor 85.78% 98.59%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 84.28% 85.49%
CHEMBL4581 P52732 Kinesin-like protein 1 83.56% 93.18%
CHEMBL213 P08588 Beta-1 adrenergic receptor 81.40% 95.56%
CHEMBL2535 P11166 Glucose transporter 81.24% 98.75%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 80.56% 94.62%

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.
Murraya koenigii

Cross-Links

Top
PubChem 477436
NPASS NPC94943
ChEMBL CHEMBL444482
LOTUS LTS0213272
wikiData Q27135080