2-(4-Hydroxyphenyl)naphthalic anhydride

Details

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Internal ID 1a183319-b884-4f7e-bc3d-2952e496ca55
Taxonomy Benzenoids > Naphthalenes > Phenylnaphthalenes
IUPAC Name 6-(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
SMILES (Canonical) C1=CC2=C3C(=C1)C(=O)OC(=O)C3=C(C=C2)C4=CC=C(C=C4)O
SMILES (Isomeric) C1=CC2=C3C(=C1)C(=O)OC(=O)C3=C(C=C2)C4=CC=C(C=C4)O
InChI InChI=1S/C18H10O4/c19-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(21)22-17(14)20/h1-9,19H
InChI Key YFQUGKAERRJRCN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H10O4
Molecular Weight 290.30 g/mol
Exact Mass 290.05790880 g/mol
Topological Polar Surface Area (TPSA) 63.60 Ų
XlogP 3.80

Synonyms

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CHEBI:168750
4-(4-Hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
DTXSID601198971
158922-28-2
6-(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
6-(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione

2D Structure

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2D Structure of 2-(4-Hydroxyphenyl)naphthalic anhydride

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
CHEMBL2581 P07339 Cathepsin D 96.98% 98.95%
CHEMBL242 Q92731 Estrogen receptor beta 95.51% 98.35%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.86% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 90.85% 91.49%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 90.80% 91.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.56% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.51% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.46% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.33% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.75% 99.15%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 87.63% 96.09%
CHEMBL1907 P15144 Aminopeptidase N 86.58% 93.31%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 85.24% 93.10%
CHEMBL3401 O75469 Pregnane X receptor 85.19% 94.73%
CHEMBL1937 Q92769 Histone deacetylase 2 82.40% 94.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.11% 89.00%
CHEMBL2535 P11166 Glucose transporter 82.01% 98.75%

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.
Musa acuminata
Musa balbisiana

Cross-Links

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PubChem 10424295
LOTUS LTS0167309
wikiData Q105347752