Subelliptenone G

Details

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Internal ID 20002438-6d4a-40e1-ab96-c15625a05f13
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 1,4,5-trihydroxyxanthen-9-one
SMILES (Canonical) C1=CC2=C(C(=C1)O)OC3=C(C=CC(=C3C2=O)O)O
SMILES (Isomeric) C1=CC2=C(C(=C1)O)OC3=C(C=CC(=C3C2=O)O)O
InChI InChI=1S/C13H8O5/c14-7-4-5-9(16)13-10(7)11(17)6-2-1-3-8(15)12(6)18-13/h1-5,14-16H
InChI Key HFSVZCUBASBXKP-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C13H8O5
Molecular Weight 244.20 g/mol
Exact Mass 244.03717335 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 2.40

Synonyms

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162473-22-5
Subelliptene G
1,4,5-trihydroxyxanthen-9-one
1,4,5-TRIHYDROXY-9H-XANTHEN-9-ONE
1,4,5-trihydroxyxanthone
CHEMBL4081488
SCHEMBL8958340
HY-N1197
BDBM50268299
AKOS032948664
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Subelliptenone G

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 96.28% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.80% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.42% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.10% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.19% 93.99%
CHEMBL1951 P21397 Monoamine oxidase A 88.32% 91.49%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.61% 99.15%
CHEMBL3401 O75469 Pregnane X receptor 87.51% 94.73%
CHEMBL2581 P07339 Cathepsin D 86.70% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.21% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.74% 94.45%

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.
Agasthiyamalaia pauciflora
Garcinia dulcis
Garcinia subelliptica
Garcinia vieillardii
Hypericum ellipticum

Cross-Links

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PubChem 9916414
LOTUS LTS0224656
wikiData Q105027518