2-Methyl-4-(6-methylhept-5-en-2-yl)phenol

Details

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Internal ID 0b8eb4d4-170c-4f14-9a0b-4a8095efc602
Taxonomy Benzenoids > Phenols > Cresols > Ortho cresols
IUPAC Name 2-methyl-4-(6-methylhept-5-en-2-yl)phenol
SMILES (Canonical) CC1=C(C=CC(=C1)C(C)CCC=C(C)C)O
SMILES (Isomeric) CC1=C(C=CC(=C1)C(C)CCC=C(C)C)O
InChI InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-8-9-15(16)13(4)10-14/h6,8-10,12,16H,5,7H2,1-4H3
InChI Key AHRNUZBHBAHMHY-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H22O
Molecular Weight 218.33 g/mol
Exact Mass 218.167065321 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Methyl-4-(6-methylhept-5-en-2-yl)phenol

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 95.75% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.14% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 94.65% 94.73%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.96% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.59% 95.56%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.96% 93.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.42% 94.45%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.61% 93.40%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.40% 96.00%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 81.49% 96.90%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 81.08% 100.00%

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.
Iostephane heterophylla

Cross-Links

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PubChem 21592241
LOTUS LTS0072894
wikiData Q104085280