FUCOXANTHIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 06O0TC0VSM

Structure
InChI Key MNUMHDZZMWCBBX-JWAQYZNWSA-N
Smile CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1
InChI
InChI=1S/C40H56O6/c1-27(14-12-15-29(3)20-21-35-36(6,7)24-33(45-31(5)41)25-38(35,10)44)18-19-28(2)16-13-17-30(4)34(43)26-40-37(8,9)22-32(42)23-39(40,11)46-40/h12-20,32-33,42,44H,22-26H2,1-11H3/b14-12+,16-13+,27-18+,28-19+,29-15+,30-17+/t21?,32-,33-,38+,39+,40-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H56O6
Molecular Weight 632.88
AlogP 8.14
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 96.36
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 46.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Metabolic Syndrome 2 D024821 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 3351-86-8
ChEMBL CHEMBL1773903
FDA SRS 06O0TC0VSM
ZINC ZINC000071318645
CONTENTS