Quinquangulin

Details

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Internal ID 520b429b-9933-48b4-9edf-4b7b5a0f43c1
Taxonomy Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones
IUPAC Name 5,6-dihydroxy-8-methoxy-2,9-dimethylbenzo[g]chromen-4-one
SMILES (Canonical) CC1=CC(=O)C2=C(O1)C=C3C(=C(C=C(C3=C2O)O)OC)C
SMILES (Isomeric) CC1=CC(=O)C2=C(O1)C=C3C(=C(C=C(C3=C2O)O)OC)C
InChI InChI=1S/C16H14O5/c1-7-4-10(17)15-13(21-7)5-9-8(2)12(20-3)6-11(18)14(9)16(15)19/h4-6,18-19H,1-3H3
InChI Key RWYDRASBOZUJPY-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O5
Molecular Weight 286.28 g/mol
Exact Mass 286.08412354 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 3.30

Synonyms

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CHEBI:8731
CHEMBL465319
C09044
5,6-dihydroxy-8-methoxy-2,9-dimethyl-benzo[g]chromen-4-one
AC1MHNKN
CTK2B3873
62715-75-7
SureCN4742445
SCHEMBL4742445
DTXSID90388344
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Quinquangulin

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 98.73% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.81% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.93% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 93.37% 91.49%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.63% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.68% 85.14%
CHEMBL2581 P07339 Cathepsin D 87.90% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 87.76% 94.73%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 87.48% 93.65%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.83% 86.33%
CHEMBL3194 P02766 Transthyretin 85.57% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.51% 99.23%
CHEMBL2535 P11166 Glucose transporter 84.47% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.61% 99.17%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.43% 93.99%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.31% 94.45%
CHEMBL1937 Q92769 Histone deacetylase 2 81.20% 94.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.33% 99.15%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 80.19% 94.42%

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.
Senna obliqua
Senna quinquangulata var. quinquangulata

Cross-Links

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PubChem 3008110
LOTUS LTS0161068
wikiData Q27108140