Structure Database (LMSD)
Common Name
Ophiobolin Q
Systematic Name
Synonyms
3D model of Ophiobolin Q
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
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
[Ulocladium] sp.
(#1914427)
Dothideomycetes
(#147541)
Ophiobolins P-T, five new cytotoxic and antibacterial sesterterpenes from the endolichenic fungus Ulocladium sp.,
Fitoterapia, 2013
Fitoterapia, 2013
Pubmed ID:
23954177
String Representations
InChiKey (Click to copy)
ZCYAUPOUCSSQGA-WBBAMFPJSA-N
InChi (Click to copy)
InChI=1S/C25H36O4/c1-15(6-9-22(28)24(3,4)29)18-10-11-25(5)13-19-16(2)12-21(27)23(19)17(14-26)7-8-20(18)25/h6-7,9,12,14-15,18-20,22-23,28-29H,8,10-11,13H2,1-5H3/b9-6-,17-7-/t15-,18+,19+,20-,22-,23-,25+/m0/s1
SMILES (Click to copy)
[C@@]12([H])C(=O)C=C(C)[C@@]1([H])C[C@@]1(C)CC[C@]([H])([C@@H](C)/C=C\[C@H](O)C(C)(O)C)[C@]1([H])CC=C2C=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
3
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
425.94
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.60
Molar Refractivity
115.08
Admin
Created at
23rd Oct 2020
Updated at
23rd Oct 2020