4,7-Dihydroxy-2,3-methylenedioxy-9,10-dihydro-phenanthrene

Details

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Internal ID 9ed220b0-9747-4107-abe8-6cfd44c32ad9
Taxonomy Benzenoids > Phenanthrenes and derivatives
IUPAC Name 5,6-dihydronaphtho[2,1-f][1,3]benzodioxole-3,11-diol
SMILES (Canonical) C1CC2=C(C=CC(=C2)O)C3=C(C4=C(C=C31)OCO4)O
SMILES (Isomeric) C1CC2=C(C=CC(=C2)O)C3=C(C4=C(C=C31)OCO4)O
InChI InChI=1S/C15H12O4/c16-10-3-4-11-8(5-10)1-2-9-6-12-15(19-7-18-12)14(17)13(9)11/h3-6,16-17H,1-2,7H2
InChI Key QPSCKIQSZZPZQX-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H12O4
Molecular Weight 256.25 g/mol
Exact Mass 256.07355886 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,7-Dihydroxy-2,3-methylenedioxy-9,10-dihydro-phenanthrene

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 99.30% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.66% 91.49%
CHEMBL242 Q92731 Estrogen receptor beta 96.84% 98.35%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 93.02% 82.67%
CHEMBL2581 P07339 Cathepsin D 90.38% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 88.58% 93.40%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.37% 86.33%
CHEMBL5145 P15056 Serine/threonine-protein kinase B-raf 85.93% 97.90%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.88% 95.56%
CHEMBL4208 P20618 Proteasome component C5 84.53% 90.00%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 83.96% 95.78%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.80% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 82.04% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.31% 89.00%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 80.76% 93.10%

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 15081425
LOTUS LTS0102718
wikiData Q105225566