TOCOTRIENOL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0867I0N41V

Structure
InChI Key GJJVAFUKOBZPCB-UHFFFAOYSA-N
Smile CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)ccc2O1
InChI
InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H38O2
Molecular Weight 382.59
AlogP 7.68
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 53

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ischemic Stroke 3 D000083242 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 6829-55-6
ChEMBL CHEMBL4297330
FDA SRS 0867I0N41V
PubChem 9929901
SureChEMBL SCHEMBL1081622
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