Fimbriol A

Details

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Internal ID 16efbd6e-0c23-4e78-acd1-cffee5a9e823
Taxonomy Benzenoids > Phenanthrenes and derivatives > Phenanthrols
IUPAC Name 3,4,9-trimethoxyphenanthrene-2,5-diol
SMILES (Canonical) COC1=CC2=CC(=C(C(=C2C3=C1C=CC=C3O)OC)OC)O
SMILES (Isomeric) COC1=CC2=CC(=C(C(=C2C3=C1C=CC=C3O)OC)OC)O
InChI InChI=1S/C17H16O5/c1-20-13-8-9-7-12(19)16(21-2)17(22-3)14(9)15-10(13)5-4-6-11(15)18/h4-8,18-19H,1-3H3
InChI Key MRYYPHKLLLULDL-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C17H16O5
Molecular Weight 300.30 g/mol
Exact Mass 300.09977361 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 3.60

Synonyms

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3,4,9-trimethoxyphenanthrene-2,5-diol
CHEMBL2208382
2,5-dihydroxy-3,4,9-trimethoxyphenanthrene

2D Structure

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2D Structure of Fimbriol A

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 96.95% 91.11%
CHEMBL2535 P11166 Glucose transporter 92.06% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.94% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.87% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.42% 93.99%
CHEMBL1255126 O15151 Protein Mdm4 90.04% 90.20%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.81% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 88.51% 94.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.51% 99.15%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.88% 96.09%
CHEMBL2581 P07339 Cathepsin D 86.58% 98.95%
CHEMBL1907 P15144 Aminopeptidase N 86.47% 93.31%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 83.89% 94.03%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.61% 99.17%

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.
Dendrobium plicatile
Epidendrum rigidum
Maxillaria densa

Cross-Links

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PubChem 11335575
LOTUS LTS0230899
wikiData Q103815910