4-Geranyloxy-2,6-dihydroxybenzophenone

Details

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Internal ID d00f4ad1-0fdc-47db-894c-d6d8392338ad
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzophenones
IUPAC Name [4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dihydroxyphenyl]-phenylmethanone
SMILES (Canonical) CC(=CCCC(=CCOC1=CC(=C(C(=C1)O)C(=O)C2=CC=CC=C2)O)C)C
SMILES (Isomeric) CC(=CCC/C(=C/COC1=CC(=C(C(=C1)O)C(=O)C2=CC=CC=C2)O)/C)C
InChI InChI=1S/C23H26O4/c1-16(2)8-7-9-17(3)12-13-27-19-14-20(24)22(21(25)15-19)23(26)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,24-25H,7,9,13H2,1-3H3/b17-12+
InChI Key CPWFSCYLMXLCDK-SFQUDFHCSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H26O4
Molecular Weight 366.40 g/mol
Exact Mass 366.18310931 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 6.40

Synonyms

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4-geranyloxy-2,6-dihydroxybenzophenone

2D Structure

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2D Structure of 4-Geranyloxy-2,6-dihydroxybenzophenone

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
CHEMBL3060 Q9Y345 Glycine transporter 2 95.81% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.19% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.39% 86.33%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 93.82% 94.62%
CHEMBL3401 O75469 Pregnane X receptor 93.25% 94.73%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.67% 92.08%
CHEMBL4208 P20618 Proteasome component C5 91.19% 90.00%
CHEMBL2581 P07339 Cathepsin D 91.05% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.72% 95.56%
CHEMBL221 P23219 Cyclooxygenase-1 90.21% 90.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 90.08% 95.50%
CHEMBL2535 P11166 Glucose transporter 86.96% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.29% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.21% 99.15%

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.
Helichrysum litorale
Hypericum sampsonii
Tovomita longifolia

Cross-Links

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PubChem 44575287
LOTUS LTS0211936
wikiData Q104967809