Mikanecin

Details

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Internal ID f40be4b8-a775-4076-bd72-97ecdf28c094
Taxonomy Organoheterocyclic compounds > Pyrrolizidines
IUPAC Name 7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
SMILES (Canonical) C1CN2CCC(C2C1CO)O
SMILES (Isomeric) C1CN2CCC(C2C1CO)O
InChI InChI=1S/C8H15NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h6-8,10-11H,1-5H2
InChI Key QWOXSTGOGUNUGF-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C8H15NO2
Molecular Weight 157.21 g/mol
Exact Mass 157.110278721 g/mol
Topological Polar Surface Area (TPSA) 43.70 Ų
XlogP -0.50

Synonyms

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Mikanecine
7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
520-62-7
Dihydroretronecine
NSC-124683
7-(Hydroxymethyl)hexahydro-1H-pyrrolizin-1-ol #
NoName_3652
SCHEMBL15132886
DTXSID20903064
1H-Pyrrolizine-1-methanol, hexahydro-7-hydroxy-, [1S-(1.alpha.,7.alpha.,7a.beta.)]-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Mikanecin

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
CHEMBL4040 P28482 MAP kinase ERK2 99.54% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.50% 96.09%
CHEMBL2140 P48775 Tryptophan 2,3-dioxygenase 88.29% 98.46%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.84% 97.09%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 86.75% 96.03%
CHEMBL226 P30542 Adenosine A1 receptor 84.89% 95.93%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.01% 95.89%
CHEMBL3023 Q9NRA0 Sphingosine kinase 2 83.73% 95.61%
CHEMBL2581 P07339 Cathepsin D 82.05% 98.95%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 81.47% 95.83%
CHEMBL3105 P09874 Poly [ADP-ribose] polymerase-1 80.78% 93.90%

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.
Heliotropium angiospermum

Cross-Links

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PubChem 276551
LOTUS LTS0234852
wikiData Q105229317