Amoridin

Details

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Internal ID 7f790407-c2ff-468e-9f07-757cba671a1a
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
IUPAC Name 8-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
SMILES (Canonical) CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(O2)C(=C4C(=C3O)C=CC(O4)(C)C)CC=C(C)C)O)O)C
SMILES (Isomeric) CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(O2)C(=C4C(=C3O)C=CC(O4)(C)C)CC=C(C)C)O)O)C
InChI InChI=1S/C30H34O6/c1-16(2)7-9-18-13-19(14-23(32)26(18)33)24-15-22(31)25-27(34)20-11-12-30(5,6)36-28(20)21(29(25)35-24)10-8-17(3)4/h7-8,11-14,24,32-34H,9-10,15H2,1-6H3
InChI Key VOGGTXAKIFCKMJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C30H34O6
Molecular Weight 490.60 g/mol
Exact Mass 490.23553880 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 7.20

Synonyms

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LMPK12140423

2D Structure

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2D Structure of Amoridin

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 99.89% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.35% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.06% 94.45%
CHEMBL1951 P21397 Monoamine oxidase A 95.26% 91.49%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.99% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.86% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.59% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 91.33% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.11% 89.00%
CHEMBL221 P23219 Cyclooxygenase-1 88.70% 90.17%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 87.64% 80.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.89% 86.33%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 85.83% 95.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.63% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.33% 95.56%
CHEMBL4208 P20618 Proteasome component C5 84.89% 90.00%
CHEMBL3038469 P24941 CDK2/Cyclin A 84.83% 91.38%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.74% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.11% 90.71%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.61% 92.62%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.63% 99.15%
CHEMBL1929 P47989 Xanthine dehydrogenase 81.51% 96.12%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.12% 99.23%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 80.26% 92.88%

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.
Amorpha fruticosa

Cross-Links

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PubChem 14187655
LOTUS LTS0018846
wikiData Q105290167