(R)-diorcinol B

Details

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Internal ID 27207180-44f0-4ff3-91da-7c20e54520da
Taxonomy Benzenoids > Benzene and substituted derivatives > Diphenylethers
IUPAC Name (2R)-1-[4-hydroxy-2-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol
SMILES (Canonical) CC1=CC(=CC(=C1)OC2=C(C(=CC(=C2)O)C)CC(C(C)(C)O)O)O
SMILES (Isomeric) CC1=CC(=CC(=C1)OC2=C(C(=CC(=C2)O)C)C[C@H](C(C)(C)O)O)O
InChI InChI=1S/C19H24O5/c1-11-5-13(20)8-15(6-11)24-17-9-14(21)7-12(2)16(17)10-18(22)19(3,4)23/h5-9,18,20-23H,10H2,1-4H3/t18-/m1/s1
InChI Key AZIWXFFUSGNPTA-GOSISDBHSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C19H24O5
Molecular Weight 332.40 g/mol
Exact Mass 332.16237386 g/mol
Topological Polar Surface Area (TPSA) 90.20 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (R)-diorcinol B

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
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 93.76% 92.68%
CHEMBL2581 P07339 Cathepsin D 93.35% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.60% 99.15%
CHEMBL3401 O75469 Pregnane X receptor 90.91% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.82% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.43% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.88% 99.17%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 86.96% 93.65%
CHEMBL4581 P52732 Kinesin-like protein 1 86.66% 93.18%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.20% 96.09%
CHEMBL4208 P20618 Proteasome component C5 86.11% 90.00%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 85.07% 96.09%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 83.54% 90.93%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 82.93% 97.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.74% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.36% 94.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 82.07% 89.62%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.60% 97.21%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 146684193
LOTUS LTS0154305
wikiData Q104921712