Crytowolinol

Details

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Internal ID bc7a42d9-0d60-4764-aa14-dd8f1a65b71a
Taxonomy Organoheterocyclic compounds > Tetrahydroisoquinolines
IUPAC Name (11R,12S)-15-methoxy-1-methyl-5,7-dioxa-1-azoniapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-11,16-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H19NO5/c1-20-4-3-10-5-14(21)15(23-2)6-11(10)18(20)19(22)12-7-16-17(8-13(12)20)25-9-24-16/h5-8,18-19,22H,3-4,9H2,1-2H3/p+1/t18-,19+,20?/m0/s1
InChI Key CVCLYISJHIEWIH-ABZYKWASSA-O
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H20NO5+
Molecular Weight 342.40 g/mol
Exact Mass 342.13414774 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 1.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Crytowolinol

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 98.08% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.84% 96.09%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 95.45% 96.77%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 94.54% 82.67%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.90% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.90% 95.56%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 90.10% 92.62%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.30% 85.14%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 88.44% 80.96%
CHEMBL241 Q14432 Phosphodiesterase 3A 88.35% 92.94%
CHEMBL261 P00915 Carbonic anhydrase I 87.79% 96.76%
CHEMBL2581 P07339 Cathepsin D 86.74% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 86.74% 83.82%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.55% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.48% 86.33%
CHEMBL213 P08588 Beta-1 adrenergic receptor 84.26% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.97% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.53% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.22% 93.99%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.98% 100.00%
CHEMBL2535 P11166 Glucose transporter 82.95% 98.75%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.30% 95.89%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 82.28% 89.62%
CHEMBL2413 P32246 C-C chemokine receptor type 1 82.00% 89.50%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 81.01% 93.40%
CHEMBL3438 Q05513 Protein kinase C zeta 80.40% 88.48%

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.
Cryptocarya phyllostemon

Cross-Links

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PubChem 163184370
LOTUS LTS0136514
wikiData Q104970660