Pancixanthone B

Details

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Internal ID a783e4a0-0035-4ca1-8b96-eb0610fdca43
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 5,10-dihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one
SMILES (Canonical) CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)(C)C
SMILES (Isomeric) CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)(C)C
InChI InChI=1S/C18H16O5/c1-8-18(2,3)14-12(22-8)7-11(20)13-15(21)9-5-4-6-10(19)16(9)23-17(13)14/h4-8,19-20H,1-3H3
InChI Key SPSZQWKBQUMDPB-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H16O5
Molecular Weight 312.30 g/mol
Exact Mass 312.09977361 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 4.10

Synonyms

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CHEBI:66724
Q27135346
5,10-dihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one
5,10-dihydroxy-1,1,2-trimethyl-1,2-dihydro-6H-furo[2,3-c]xanthen-6-one

2D Structure

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2D Structure of Pancixanthone B

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 98.28% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.41% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 95.99% 89.00%
CHEMBL2581 P07339 Cathepsin D 93.86% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.07% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.45% 93.99%
CHEMBL1937 Q92769 Histone deacetylase 2 92.02% 94.75%
CHEMBL1951 P21397 Monoamine oxidase A 87.99% 91.49%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 87.35% 94.80%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.79% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.76% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 85.67% 94.73%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.73% 85.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.04% 99.15%
CHEMBL2535 P11166 Glucose transporter 80.14% 98.75%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 80.03% 85.11%

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 pauciflorum
Cratoxylum sumatranum
Diplostephium floribundum
Garcinia vieillardii

Cross-Links

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PubChem 10519161
LOTUS LTS0144901
wikiData Q105190267