(R)-(+)-8-hydroxy-7-O-methyltrypethelone

Details

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Internal ID 8bee8f83-a45a-4110-9eaf-4cdb334ce3e0
Taxonomy Organoheterocyclic compounds > Naphthofurans
IUPAC Name (2R)-6-hydroxy-7-methoxy-2,3,3,9-tetramethyl-2H-benzo[g][1]benzofuran-4,5-dione
SMILES (Canonical) CC1C(C2=C(O1)C3=C(C(=C(C=C3C)OC)O)C(=O)C2=O)(C)C
SMILES (Isomeric) C[C@@H]1C(C2=C(O1)C3=C(C(=C(C=C3C)OC)O)C(=O)C2=O)(C)C
InChI InChI=1S/C17H18O5/c1-7-6-9(21-5)13(18)11-10(7)16-12(15(20)14(11)19)17(3,4)8(2)22-16/h6,8,18H,1-5H3/t8-/m1/s1
InChI Key GWJWAUGUUGLWDQ-MRVPVSSYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H18O5
Molecular Weight 302.32 g/mol
Exact Mass 302.11542367 g/mol
Topological Polar Surface Area (TPSA) 72.80 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (R)-(+)-8-hydroxy-7-O-methyltrypethelone

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 97.71% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.17% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.89% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.40% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.22% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.58% 85.14%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 86.15% 93.40%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.05% 99.23%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.21% 99.15%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.84% 97.14%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.65% 92.94%
CHEMBL340 P08684 Cytochrome P450 3A4 82.93% 91.19%
CHEMBL1937 Q92769 Histone deacetylase 2 82.19% 94.75%
CHEMBL2581 P07339 Cathepsin D 81.48% 98.95%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 80.52% 96.21%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.39% 96.09%

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 132608011
LOTUS LTS0253060
wikiData Q77479399