6-Ethenyl-1,7-dimethylphenanthren-2-ol

Details

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Internal ID c4598e00-f86d-4594-9c57-a6ab28718c6e
Taxonomy Benzenoids > Phenanthrenes and derivatives > Phenanthrols
IUPAC Name 6-ethenyl-1,7-dimethylphenanthren-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H16O/c1-4-13-10-17-14(9-11(13)2)5-6-15-12(3)18(19)8-7-16(15)17/h4-10,19H,1H2,2-3H3
InChI Key ZUJPWASMQHMHLE-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C18H16O
Molecular Weight 248.30 g/mol
Exact Mass 248.120115130 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.60

Synonyms

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CHEMBL4088990
SCHEMBL23754262
AKOS040762853

2D Structure

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2D Structure of 6-Ethenyl-1,7-dimethylphenanthren-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
CHEMBL1951 P21397 Monoamine oxidase A 98.21% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.56% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.10% 95.56%
CHEMBL242 Q92731 Estrogen receptor beta 87.33% 98.35%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.20% 89.62%
CHEMBL2581 P07339 Cathepsin D 85.93% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 85.12% 94.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.03% 99.15%
CHEMBL4530 P00488 Coagulation factor XIII 84.65% 96.00%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 83.43% 98.11%
CHEMBL4208 P20618 Proteasome component C5 83.36% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.71% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 82.45% 94.73%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.16% 90.24%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.89% 86.33%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.17% 93.65%

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.
Juncus setchuensis
Urospermum picroides

Cross-Links

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PubChem 44178857
LOTUS LTS0098631
wikiData Q105330324