Lindelofidine

Details

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Internal ID e14bbbd8-66cc-48de-bde3-d0bac5b90a4e
Taxonomy Organoheterocyclic compounds > Pyrrolizidines
IUPAC Name [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
SMILES (Canonical) C1CC2C(CCN2C1)CO
SMILES (Isomeric) C1C[C@@H]2[C@@H](CCN2C1)CO
InChI InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m0/s1
InChI Key LOFDEIYZIAVXHE-JGVFFNPUSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C8H15NO
Molecular Weight 141.21 g/mol
Exact Mass 141.115364102 g/mol
Topological Polar Surface Area (TPSA) 23.50 Ų
XlogP 0.50

Synonyms

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(+/-)-Isoretronecanol
Isoretronecanol, (+/-)-
(+)-Lindelofidine
(+)-Isoretronecanol
Isoretronecanol, (+)-
B8448092FP
488-06-2
UNII-B8448092FP
1H-Pyrrolizine-1-methanol, hexahydro-, trans-
724IZ218GL
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lindelofidine

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 90.82% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.07% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.98% 97.09%
CHEMBL2581 P07339 Cathepsin D 86.06% 98.95%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 85.50% 96.03%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.09% 95.89%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 85.07% 95.50%
CHEMBL3023 Q9NRA0 Sphingosine kinase 2 83.56% 95.61%
CHEMBL2140 P48775 Tryptophan 2,3-dioxygenase 83.52% 98.46%
CHEMBL1978 P11511 Cytochrome P450 19A1 81.75% 91.76%
CHEMBL5203 P33316 dUTP pyrophosphatase 81.22% 99.18%

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.
Euploca strigosa
Heliotropium indicum

Cross-Links

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PubChem 11126361
LOTUS LTS0211356
wikiData Q105154676