Xiphidone

Details

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Internal ID 5d0ad092-6fe9-42eb-a6fd-ccc4746e8161
Taxonomy Benzenoids > Naphthalenes > Phenylnaphthalenes
IUPAC Name 6-hydroxy-2,5-dimethoxy-9-phenylphenalen-1-one
SMILES (Canonical) COC1=CC2=CC(=C(C3=C2C(=C(C=C3)C4=CC=CC=C4)C1=O)O)OC
SMILES (Isomeric) COC1=CC2=CC(=C(C3=C2C(=C(C=C3)C4=CC=CC=C4)C1=O)O)OC
InChI InChI=1S/C21H16O4/c1-24-16-10-13-11-17(25-2)21(23)19-14(12-6-4-3-5-7-12)8-9-15(18(13)19)20(16)22/h3-11,22H,1-2H3
InChI Key POKHGRCWDLJXAR-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C21H16O4
Molecular Weight 332.30 g/mol
Exact Mass 332.10485899 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 4.60

Synonyms

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CHEMBL558914
DTXSID401229920
6-Hydroxy-2,5-dimethoxy-9-phenyl-1H-phenalen-1-one
33033-35-1

2D Structure

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2D Structure of Xiphidone

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 99.02% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 98.64% 91.49%
CHEMBL2581 P07339 Cathepsin D 98.53% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.32% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.86% 86.33%
CHEMBL1255126 O15151 Protein Mdm4 94.36% 90.20%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.97% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.80% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.60% 96.09%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 86.96% 96.67%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 86.95% 98.21%
CHEMBL2535 P11166 Glucose transporter 86.90% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.83% 96.00%
CHEMBL1907 P15144 Aminopeptidase N 84.94% 93.31%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.49% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.46% 99.23%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.15% 99.15%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 80.83% 94.03%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.35% 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.
Haemodorum simplex
Xiphidium caeruleum

Cross-Links

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PubChem 45273567
LOTUS LTS0071695
wikiData Q104400776