4-Hydroxyxanthone

Details

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Internal ID 88b13591-eafb-4897-bf89-93f683afbc09
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 4-hydroxyxanthen-9-one
SMILES (Canonical) C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O
SMILES (Isomeric) C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O
InChI InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H
InChI Key KBQFPPUAIJHDCO-UHFFFAOYSA-N
Popularity 18 references in papers

Physical and Chemical Properties

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Molecular Formula C13H8O3
Molecular Weight 212.20 g/mol
Exact Mass 212.047344113 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 3.00

Synonyms

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4-hydroxyxanthen-9-one
9H-Xanthen-9-one, 4-hydroxy-
14686-63-6
4-Hydroxy-9H-xanthen-9-one
4-Oxidanylxanthen-9-one
3DU8IL6F8E
4-hydroxy-9H-9-xanthenone
4-Hydroxy-xanthen-9-one
UNII-3DU8IL6F8E
CHEMBL359978
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-Hydroxyxanthone

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 98.21% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.98% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 95.30% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.12% 89.00%
CHEMBL2581 P07339 Cathepsin D 89.82% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 88.11% 94.73%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.04% 93.99%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.02% 94.00%
CHEMBL2535 P11166 Glucose transporter 81.78% 98.75%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.98% 93.65%

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.
Calophyllum brasiliense
Calophyllum caledonicum
Calophyllum cordato-oblongum
Calophyllum inophyllum
Calophyllum membranaceum
Garcinia kola
Mammea acuminata
Mammea americana

Cross-Links

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PubChem 611428
LOTUS LTS0128000
wikiData Q82119327