Structure Database (LMSD)
Common Name
Uriolide
Systematic Name
(3S,5R,6S,3'R,6'R)-5,6-Epoxy-3,3'-dihydroxy-5,6,7',8'-tetrahydro-β,ε-caroten-19',11'-olide
Synonyms
3D model of Uriolide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Prasinococcus capsulatus
(#156131)
Palmophyllophyceae
(#2201463)
Additional carotenoid prototype representatives and a general chemosystematic evaluation of carotenoids in prasinophyceae (chlorophyta),
Phytochemistry, 1997
Phytochemistry, 1997
String Representations
InChiKey (Click to copy)
JVBLPSSXRSHBAY-OQINAPANSA-N
InChi (Click to copy)
InChI=1S/C40H54O5/c1-27(15-12-16-28(2)19-20-40-38(7,8)25-33(42)26-39(40,9)45-40)13-10-11-14-29(3)21-34-23-31(36(43)44-34)17-18-35-30(4)22-32(41)24-37(35,5)6/h10-16,19-23,32-33,35,41-42H,17-18,24-26H2,1-9H3/b11-10+,15-12+,20-19+,27-13+,28-16+,29-14+,34-21-/t32-,33-,35-,39+,40-/m0/s1
SMILES (Click to copy)
[C@]12(O[C@]1(C)C[C@@H](O)C[C@@]2(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C1\OC(=O)C(CC[C@H]2C(C)=C[C@H](O)C[C@@]2(C)C)=C\1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
4
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
668.67
Topological Polar Surface Area
81.36
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
9.85
Molar Refractivity
185.13
Admin
Created at
-
Updated at
15th Mar 2023