PERETINOIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 11ALM7A4RV

Structure
InChI Key UUBHZHZSIKRVIV-KCXSXWJSSA-N
Smile CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C(=O)O
InChI
InChI=1S/C20H30O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h8-9,11,13-15H,6-7,10,12H2,1-5H3,(H,21,22)/b14-8+,17-11+,18-13+,19-15+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H30O2
Molecular Weight 302.46
AlogP 5.99
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Neoplasms 3 D008113 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4303228
FDA SRS 11ALM7A4RV
SureChEMBL SCHEMBL431954
ZINC ZINC000030691356
CONTENTS