Fibrecisine

Details

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Internal ID d59136ef-b882-4592-b479-eac7acf2d70b
Taxonomy Alkaloids and derivatives > Aporphines
IUPAC Name (12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-15-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H17NO3/c1-19-6-5-10-7-15-18(22-9-21-15)17-11-3-2-4-14(20)12(11)8-13(19)16(10)17/h2-4,7,13,20H,5-6,8-9H2,1H3/t13-/m1/s1
InChI Key MTDDQZFSGWMNCX-CYBMUJFWSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C18H17NO3
Molecular Weight 295.30 g/mol
Exact Mass 295.12084340 g/mol
Topological Polar Surface Area (TPSA) 41.90 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Fibrecisine

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
CHEMBL1951 P21397 Monoamine oxidase A 99.04% 91.49%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 98.17% 93.40%
CHEMBL2581 P07339 Cathepsin D 98.05% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.66% 96.09%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 97.32% 96.77%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.28% 91.11%
CHEMBL217 P14416 Dopamine D2 receptor 93.45% 95.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.18% 95.56%
CHEMBL2056 P21728 Dopamine D1 receptor 92.96% 91.00%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 91.43% 91.79%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.97% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.23% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.95% 95.89%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.84% 93.99%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.07% 100.00%
CHEMBL2535 P11166 Glucose transporter 84.89% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 82.10% 94.73%
CHEMBL2083 P15090 Fatty acid binding protein adipocyte 81.07% 95.71%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.71% 92.62%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 80.71% 82.38%
CHEMBL4208 P20618 Proteasome component C5 80.69% 90.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 80.25% 100.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.23% 99.15%

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.
There are no matching plants.

Cross-Links

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PubChem 44194397
LOTUS LTS0088472
wikiData Q105171628