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Griseorhodin A

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID c75e2632-a73f-4ce8-a086-48a310270ac1
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes
IUPAC Name 2',3,4,9-tetrahydroxy-7-methoxy-6'-methylspiro[3H-benzo[f][1]benzofuran-2,14'-5,12,15-trioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,6,8-tetraene]-4',5,8-trione
SMILES (Canonical) CC1=CC2=CC3=C(C(=C2C(=O)O1)O)OC4(C5C3O5)C(C6=C(C7=C(C(=C6O4)O)C(=O)C(=CC7=O)OC)O)O
SMILES (Isomeric) CC1=CC2=CC3=C(C(=C2C(=O)O1)O)OC4(C5C3O5)C(C6=C(C7=C(C(=C6O4)O)C(=O)C(=CC7=O)OC)O)O
InChI InChI=1S/C25H16O12/c1-6-3-7-4-8-19(17(29)11(7)24(32)34-6)36-25(23-20(8)35-23)22(31)14-16(28)12-9(26)5-10(33-2)15(27)13(12)18(30)21(14)37-25/h3-5,20,22-23,28-31H,1-2H3
InChI Key MRNNMFMPNANLHB-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C25H16O12
Molecular Weight 508.40 g/mol
Exact Mass 508.06417594 g/mol
Topological Polar Surface Area (TPSA) 182.00 Ų
XlogP 2.40

Synonyms

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LMPK13020001
Q27110174
1/'a,9/'b-Dihydro-3,4,4/',9-tetrahydroxy-7-methoxy-7/'-methylspiro[naphtho[2,3-b]furan-2(3H),2/'(5/'
2',3,4,9-tetrahydroxy-7-methoxy-6'-methylspiro[3H-benzo[f][1]benzofuran-2,14'-5,12,15-trioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,6,8-tetraene]-4',5,8-trione

2D Structure

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2D Structure of Griseorhodin A

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 98.86% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.10% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 94.58% 93.99%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.28% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.24% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.21% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.26% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.55% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.36% 99.23%
CHEMBL230 P35354 Cyclooxygenase-2 88.02% 89.63%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.44% 85.14%
CHEMBL3572 P11597 Cholesteryl ester transfer protein 85.56% 92.67%
CHEMBL3401 O75469 Pregnane X receptor 85.09% 94.73%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 84.25% 96.67%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 83.93% 94.42%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.77% 92.94%
CHEMBL2535 P11166 Glucose transporter 83.52% 98.75%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.47% 93.65%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 80.14% 85.49%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 5282051
LOTUS LTS0136137
wikiData Q27110174