Erycristin

Details

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Internal ID ff115711-4f05-4fd5-a7f2-aec1bbc467ac
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans
IUPAC Name 9-methoxy-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H30O4/c1-15(2)6-8-17-12-20-24(13-22(17)27)29-14-21-18-10-11-23(28-5)19(9-7-16(3)4)25(18)30-26(20)21/h6-7,10-13,21,26-27H,8-9,14H2,1-5H3
InChI Key OFTVQUQKDYNGED-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C26H30O4
Molecular Weight 406.50 g/mol
Exact Mass 406.21440943 g/mol
Topological Polar Surface Area (TPSA) 47.90 Ų
XlogP 6.50

Synonyms

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(6aR,11aR)-3-Hydroxy-9-methoxy-2,10-diprenylpterocarpan
CHEBI:186157
LMPK12070042
9-methoxy-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-3-ol

2D Structure

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2D Structure of Erycristin

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 99.03% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.66% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.53% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.31% 94.45%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 90.16% 89.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.08% 97.09%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 89.97% 92.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.81% 95.89%
CHEMBL3401 O75469 Pregnane X receptor 88.78% 94.73%
CHEMBL2581 P07339 Cathepsin D 88.34% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.04% 95.56%
CHEMBL2535 P11166 Glucose transporter 87.75% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.36% 99.17%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.98% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.83% 96.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.38% 85.14%
CHEMBL4040 P28482 MAP kinase ERK2 81.37% 83.82%
CHEMBL1951 P21397 Monoamine oxidase A 80.96% 91.49%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.93% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.71% 89.00%
CHEMBL240 Q12809 HERG 80.33% 89.76%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 80.09% 94.80%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.02% 96.95%
CHEMBL2413 P32246 C-C chemokine receptor type 1 80.01% 89.50%

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.
Erythrina crista-galli

Cross-Links

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PubChem 13994537
LOTUS LTS0075729
wikiData Q105191393