Radermachol

Details

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Internal ID 52686cb3-f8f4-4cd8-b786-7e8cbf149222
Taxonomy Organoheterocyclic compounds > Naphthofurans
IUPAC Name 20-hydroxy-11-(2-methylprop-1-enyl)-10-oxapentacyclo[10.8.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9(21),11,14,16,18-nonaene-2,13-dione
SMILES (Canonical) CC(=CC1=C2C3=C(O1)C4=CC=CC=C4C(=O)C3=C(C5=CC=CC=C5C2=O)O)C
SMILES (Isomeric) CC(=CC1=C2C3=C(O1)C4=CC=CC=C4C(=O)C3=C(C5=CC=CC=C5C2=O)O)C
InChI InChI=1S/C24H16O4/c1-12(2)11-17-18-19-20(22(26)14-8-4-3-7-13(14)21(18)25)23(27)15-9-5-6-10-16(15)24(19)28-17/h3-11,26H,1-2H3
InChI Key FJMOHENJJBVOBF-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C24H16O4
Molecular Weight 368.40 g/mol
Exact Mass 368.10485899 g/mol
Topological Polar Surface Area (TPSA) 67.50 Ų
XlogP 5.40

Synonyms

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95378-00-0
7-hydroxy-1-(2-methylprop-1-en-1-yl)benzo[g]benzo[5,6]cyclohepta[1,2,3-cd]benzofuran-8,13-dione
DTXSID60241816
NSC778246
AKOS040753700
NSC-778246
20-hydroxy-11-(2-methylprop-1-enyl)-10-oxapentacyclo[10.8.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9(21),11,14,16,18-nonaene-2,13-dione

2D Structure

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2D Structure of Radermachol

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 99.02% 91.11%
CHEMBL2581 P07339 Cathepsin D 98.61% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 97.41% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 97.24% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.78% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 93.19% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.02% 99.23%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 87.13% 96.67%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 83.81% 83.10%
CHEMBL5284 Q96RR4 CaM-kinase kinase beta 82.53% 89.23%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.03% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.56% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.55% 94.00%

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.
Radermachera xylocarpa

Cross-Links

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PubChem 125319
LOTUS LTS0045491
wikiData Q104996221