Hygroline

Details

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Internal ID 5c8ff8f1-1d76-4a8d-9729-8e224e3ed3e5
Taxonomy Organoheterocyclic compounds > Pyrrolidines > N-alkylpyrrolidines
IUPAC Name (2R)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ol
SMILES (Canonical) CC(CC1CCCN1C)O
SMILES (Isomeric) C[C@H](C[C@H]1CCCN1C)O
InChI InChI=1S/C8H17NO/c1-7(10)6-8-4-3-5-9(8)2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChI Key CWMYODFAUAJKIV-HTQZYQBOSA-N
Popularity 9 references in papers

Physical and Chemical Properties

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Molecular Formula C8H17NO
Molecular Weight 143.23 g/mol
Exact Mass 143.131014166 g/mol
Topological Polar Surface Area (TPSA) 23.50 Ų
XlogP 0.90

Synonyms

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HYGROLINE
496-47-9
C10152
(2R)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-2-ol
(R)-1-((R)-1-Methylpyrrolidin-2-yl)propan-2-ol
AC1L9D4Z
NSC-113095
(+)-HYGROLINE
CHEBI:93
2G7TF2S5WS
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Hygroline

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.93% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.62% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.53% 85.14%
CHEMBL2581 P07339 Cathepsin D 93.58% 98.95%
CHEMBL5203 P33316 dUTP pyrophosphatase 93.33% 99.18%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 92.37% 95.58%
CHEMBL2140 P48775 Tryptophan 2,3-dioxygenase 87.41% 98.46%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.28% 95.89%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 85.00% 98.33%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 84.31% 95.34%
CHEMBL2730 P21980 Protein-glutamine gamma-glutamyltransferase 83.77% 92.38%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 83.62% 96.38%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.46% 96.47%
CHEMBL3837 P07711 Cathepsin L 81.29% 96.61%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 81.15% 95.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.39% 93.56%

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.
Picea breweriana
Schizanthus grahamii
Schizanthus hookeri
Schizanthus litoralis
Sedum tuberosum

Cross-Links

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PubChem 442642
LOTUS LTS0220745
wikiData Q27105232