Euglobal Ib

Details

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Internal ID deb9a2a9-2dbd-4bf3-8228-6f9e8ce06a2b
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans
IUPAC Name 5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde
SMILES (Canonical) CC(C)CC1CC2(CCC3(C2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O
SMILES (Isomeric) CC(C)CC1CC2(CCC3(C2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O
InChI InChI=1S/C23H30O5/c1-12(2)7-14-8-23(6-5-22(13(3)4)9-17(22)23)28-21-16(11-25)19(26)15(10-24)20(27)18(14)21/h10-14,17,26-27H,5-9H2,1-4H3
InChI Key DRQVGVASTZKOLP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H30O5
Molecular Weight 386.50 g/mol
Exact Mass 386.20932405 g/mol
Topological Polar Surface Area (TPSA) 83.80 Ų
XlogP 5.50

Synonyms

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CHEBI:175084
5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde

2D Structure

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2D Structure of Euglobal Ib

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.16% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.77% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.33% 91.11%
CHEMBL2581 P07339 Cathepsin D 90.52% 98.95%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 89.06% 98.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.73% 97.25%
CHEMBL4227 P25090 Lipoxin A4 receptor 84.02% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.41% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.08% 97.09%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.61% 93.56%

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.
Eucalyptus globulus

Cross-Links

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PubChem 73819907
LOTUS LTS0216093
wikiData Q104987581