lanosterol   

GtoPdb Ligand ID: 2746

Synonyms: (3β)-lanosta-8,24-dien-3-ol | (3β,20R)-lanosta-8,24-dien-3-ol | lanosterin
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 20.23
Molecular weight 426.39
XLogP 10.21
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CC(=CCCC(C1CCC2(C1(C)CCC1=C2CCC2C1(C)CCC(C2(C)C)O)C)C)C
Isomeric SMILES CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C
InChI InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
InChI Key CAHGCLMLTWQZNJ-BQNIITSRSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel