Platycerine

Details

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Internal ID 8e70b7f6-384e-430a-8e9a-78db62a3ef01
Taxonomy Alkaloids and derivatives > Pavine alkaloids
IUPAC Name 4,12,13-trimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-3-ol
SMILES (Canonical) CN1C2CC3=C(C1CC4=CC(=C(C=C24)OC)OC)C(=C(C=C3)OC)O
SMILES (Isomeric) CN1C2CC3=C(C1CC4=CC(=C(C=C24)OC)OC)C(=C(C=C3)OC)O
InChI InChI=1S/C20H23NO4/c1-21-14-7-11-5-6-16(23-2)20(22)19(11)15(21)8-12-9-17(24-3)18(25-4)10-13(12)14/h5-6,9-10,14-15,22H,7-8H2,1-4H3
InChI Key LRUYSFLNJRGVCZ-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C20H23NO4
Molecular Weight 341.40 g/mol
Exact Mass 341.16270821 g/mol
Topological Polar Surface Area (TPSA) 51.20 Ų
XlogP 2.90

Synonyms

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NoName_1401
DTXSID50902181

2D Structure

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2D Structure of Platycerine

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 99.06% 96.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 97.79% 89.62%
CHEMBL2581 P07339 Cathepsin D 95.86% 98.95%
CHEMBL217 P14416 Dopamine D2 receptor 92.21% 95.62%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 91.08% 91.79%
CHEMBL5608 Q16288 NT-3 growth factor receptor 91.07% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.48% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.80% 93.99%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.51% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.30% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 87.90% 91.49%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 87.02% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.74% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.61% 85.14%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.91% 90.71%
CHEMBL4208 P20618 Proteasome component C5 83.86% 90.00%
CHEMBL2535 P11166 Glucose transporter 81.80% 98.75%

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.
Argemone polyanthemos
Thalictrum revolutum

Cross-Links

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PubChem 12314368
LOTUS LTS0190284
wikiData Q104398712