Dehydrocycloguanandin

Details

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Internal ID dfd001d2-f194-4579-8c91-183cc1e1dba6
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones
IUPAC Name 8-hydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7-one
SMILES (Canonical) CC1(C=CC2=C(O1)C3=C(C=C2)C(=O)C4=C(C=CC=C4O3)O)C
SMILES (Isomeric) CC1(C=CC2=C(O1)C3=C(C=C2)C(=O)C4=C(C=CC=C4O3)O)C
InChI InChI=1S/C18H14O4/c1-18(2)9-8-10-6-7-11-15(20)14-12(19)4-3-5-13(14)21-17(11)16(10)22-18/h3-9,19H,1-2H3
InChI Key WTSFSOWKXDTLJX-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H14O4
Molecular Weight 294.30 g/mol
Exact Mass 294.08920892 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 4.10

Synonyms

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Dehydrocycloquanandin
17623-63-1
8-hydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7-one
C10055
8-hydroxy-2,2-dimethyl-pyrano[3,2-c]xanthen-7-one
AC1NQYRD
SureCN2992768
CHEBI:4360
SCHEMBL2992768
DTXSID50415160
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Dehydrocycloguanandin

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 98.51% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.46% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.37% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.69% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.58% 95.56%
CHEMBL2581 P07339 Cathepsin D 94.18% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.63% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.13% 93.99%
CHEMBL1937 Q92769 Histone deacetylase 2 89.55% 94.75%
CHEMBL3401 O75469 Pregnane X receptor 87.31% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.16% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.00% 86.33%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 80.82% 85.30%

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 austroindicum
Calophyllum caledonicum

Cross-Links

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PubChem 5281625
LOTUS LTS0172428
wikiData Q27106348