11-Methoxy-5,6-dihydronaphtho[2,1-f][1,3]benzodioxol-3-ol

Details

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Internal ID 5fa781b5-75cf-43a3-b0f6-ed5a61d87921
Taxonomy Benzenoids > Phenanthrenes and derivatives
IUPAC Name 11-methoxy-5,6-dihydronaphtho[2,1-f][1,3]benzodioxol-3-ol
SMILES (Canonical) COC1=C2C(=CC3=C1OCO3)CCC4=C2C=CC(=C4)O
SMILES (Isomeric) COC1=C2C(=CC3=C1OCO3)CCC4=C2C=CC(=C4)O
InChI InChI=1S/C16H14O4/c1-18-16-14-10(7-13-15(16)20-8-19-13)3-2-9-6-11(17)4-5-12(9)14/h4-7,17H,2-3,8H2,1H3
InChI Key UBPAHAKOHHAPHZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O4
Molecular Weight 270.28 g/mol
Exact Mass 270.08920892 g/mol
Topological Polar Surface Area (TPSA) 47.90 Ų
XlogP 3.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 11-Methoxy-5,6-dihydronaphtho[2,1-f][1,3]benzodioxol-3-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.06% 91.11%
CHEMBL242 Q92731 Estrogen receptor beta 96.92% 98.35%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 95.05% 82.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.20% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.10% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.27% 98.95%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 90.36% 96.77%
CHEMBL1951 P21397 Monoamine oxidase A 90.16% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.94% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.61% 95.56%
CHEMBL4208 P20618 Proteasome component C5 87.01% 90.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.75% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.27% 94.00%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 83.42% 95.78%
CHEMBL2056 P21728 Dopamine D1 receptor 83.29% 91.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.16% 92.62%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.87% 95.89%
CHEMBL3401 O75469 Pregnane X receptor 82.20% 94.73%
CHEMBL2535 P11166 Glucose transporter 80.49% 98.75%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 80.45% 93.10%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 80.35% 91.79%

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.
Bulbophyllum andersonii

Cross-Links

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PubChem 101615677
LOTUS LTS0036963
wikiData Q104396996