1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-hydroxy-, (1S-cis)-

Details

• Internal ID: f2e52ea9-f24c-46bc-8b2a-028a7aba4405
• Taxonomy: Alkaloids and derivatives
• IUPAC Name: 7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
• SMILES (Canonical): C1CN2CC=C(C2C1O)CO
• SMILES (Isomeric): C1CN2CC=C(C2C1O)CO
• InChI: InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2
• InChI Key: HJSJELVDQOXCHO-UHFFFAOYSA-N
• Popularity: 34 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₃NO₂
• Molecular Weight: 155.19 g/mol
• Exact Mass: 155.094628657 g/mol
• Topological Polar Surface Area (TPSA): 43.70 Ų
• XlogP: -1.30

Synonyms

• 520-63-8
• 1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-hydroxy-, (1S-cis)-
• NSC-124684
• SCHEMBL10761428
• DTXSID40871670
• NSC124684
• AKOS040734804
• WLN: T55 AN CUTJ D1Q FQ -IS-CIS
• 7-(Hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol
• 1H-Pyrrolizine-7-methanol,3,5,7a-tetrahydro-1-hydroxy-, (1S-cis)-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.47%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.09%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.03%	97.09%
CHEMBL2581	P07339	Cathepsin D	84.94%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.98%	95.89%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	80.33%	95.83%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.14%	89.62%

Plants that contains it

• Euploca ovalifolia
• Heliotropium bracteatum
• Heliotropium ellipticum
• Heliotropium indicum
• Heliotropium marifolium

Cross-Links

• PubChem: 10626
• LOTUS: LTS0120499
• wikiData: Q105029420