7-(Hydroxymethyl)-1-methyl-5-vinyl-9,10-dihydrophenanthren-2-ol

Details

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Internal ID 2e718d19-a7c6-4907-86b4-14b6759bc830
Taxonomy Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
IUPAC Name 5-ethenyl-7-(hydroxymethyl)-1-methyl-9,10-dihydrophenanthren-2-ol
SMILES (Canonical) CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)CO)C=C)O
SMILES (Isomeric) CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)CO)C=C)O
InChI InChI=1S/C18H18O2/c1-3-13-8-12(10-19)9-14-4-5-15-11(2)17(20)7-6-16(15)18(13)14/h3,6-9,19-20H,1,4-5,10H2,2H3
InChI Key YVOHNQVXNXEGCI-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H18O2
Molecular Weight 266.30 g/mol
Exact Mass 266.130679813 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 3.70

Synonyms

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7-(hydroxymethyl)-1-methyl-5-vinyl-9,10-dihydrophenanthren-2-ol
2-phenanthrenemethanol, 4-ethenyl-9,10-dihydro-7-hydroxy-8-methyl-
InChI=1/C18H18O2/c1-3-13-8-12(10-19)9-14-4-5-15-11(2)17(20)7-6-16(15)18(13)14/h3,6-9,19-20H,1,4-5,10H2,2H

2D Structure

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2D Structure of 7-(Hydroxymethyl)-1-methyl-5-vinyl-9,10-dihydrophenanthren-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 99.30% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.82% 91.11%
CHEMBL242 Q92731 Estrogen receptor beta 97.34% 98.35%
CHEMBL2581 P07339 Cathepsin D 97.10% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 90.58% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.91% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.71% 96.09%
CHEMBL4208 P20618 Proteasome component C5 87.43% 90.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.53% 90.24%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.64% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.96% 86.33%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 83.85% 91.79%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 82.39% 96.21%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.23% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.88% 95.89%

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 effusus

Cross-Links

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PubChem 639520
LOTUS LTS0075146
wikiData Q105365731