LUTEIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: X72A60C9MT

Structure
InChI Key KBPHJBAIARWVSC-RGZFRNHPSA-N
Smile CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
InChI
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H56O2
Molecular Weight 568.89
AlogP 10.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 42.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Retinitis Pigmentosa 3 D012174 ClinicalTrials
Macular Degeneration 2 D008268 ClinicalTrials
Macular Degeneration 2 D008268 ClinicalTrials
Glaucoma 1 D005901 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 127-40-2
ChEBI 28838
ChEMBL CHEMBL173929
DrugBank DB00137
DrugCentral 4145
EPA CompTox DTXSID8046749
FDA SRS X72A60C9MT
KEGG C08601
PubChem 5281243
SureChEMBL SCHEMBL19342
ZINC ZINC000008221225
CONTENTS