Cudraxanthone D

Details

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Internal ID f91a2829-da4e-4ae8-954e-96e170cbdcca
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones
IUPAC Name 2,3,8-trihydroxy-6-methoxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)xanthen-9-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H26O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
InChI Key UIIGEZZURHDEDK-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C24H26O6
Molecular Weight 410.50 g/mol
Exact Mass 410.17293854 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 6.30

Synonyms

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2,3,8-trihydroxy-6-methoxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-enyl)xanthen-9-one
RefChem:128755
96552-41-9
9H-Xanthen-9-one,5-(1,1-dimethyl-2-propenyl)-2,3,8-trihydroxy-6-methoxy-1-(3-methyl-2-butenyl)-
CHEMBL425926
9H-Xanthen-9-one, 5-(1,1-dimethyl-2-propenyl)-2,3,8-trihydroxy-6-methoxy-1-(3-methyl-2-butenyl)-
orb1682879
BDBM50175019
AKOS032948528
FS-9205
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Cudraxanthone D

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 99.60% 91.11%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 94.51% 89.34%
CHEMBL3401 O75469 Pregnane X receptor 93.98% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.05% 94.00%
CHEMBL2581 P07339 Cathepsin D 92.84% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.42% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.09% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.62% 99.17%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.70% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.67% 94.45%
CHEMBL3194 P02766 Transthyretin 86.46% 90.71%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.55% 96.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.80% 85.14%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 82.71% 80.78%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 80.71% 98.11%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 80.33% 96.90%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.24% 95.50%

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.
Maclura tricuspidata
Sophora alopecuroides

Cross-Links

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PubChem 11611248
NPASS NPC32694
ChEMBL CHEMBL425926
LOTUS LTS0033333
wikiData Q105273390