lysergol   

GtoPdb Ligand ID: 123

Synonyms: lysergole
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 39.26
Molecular weight 254.14
XLogP 1.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3
Isomeric SMILES OC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3
InChI InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
InChI Key BIXJFIJYBLJTMK-MEBBXXQBSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methanol
Synonyms
lysergole
Database Links
CAS Registry No. 602-85-7 (source: NCI)
ChEMBL Ligand CHEMBL39947
GtoPdb PubChem SID 135650564
PubChem CID 14987
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Wikipedia Lysergol