O-1602   Click here for help

GtoPdb Ligand ID: 5525

Synonyms: O 1602
PDB Ligand
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 40.46
Molecular weight 258.16
XLogP 4.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC1=CC(C(CC1)C(=C)C)c1c(C)cc(cc1O)O
Isomeric SMILES CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(C)cc(cc1O)O
InChI InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1
InChI Key KDZOUSULXZNDJH-LSDHHAIUSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-methyl-4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
Synonyms Click here for help
O 1602
Database Links Click here for help
CAS Registry No. 317321-41-8 (source: Scifinder)
GtoPdb PubChem SID 178102168
PubChem CID 45073499
RCSB PDB Ligand HVJ
Search Google for chemical match using the InChIKey KDZOUSULXZNDJH-LSDHHAIUSA-N
Search Google for chemicals with the same backbone KDZOUSULXZNDJH
Search UniChem for chemical match using the InChIKey KDZOUSULXZNDJH-LSDHHAIUSA-N
Search UniChem for chemicals with the same backbone KDZOUSULXZNDJH
Wikipedia O-1602

Product suppliers

View disclaimer

Tocris
O-1602
Cat. No. 2797