Structure Database (LMSD)
Common Name
Ophiobolin T
Systematic Name
Synonyms
3D model of Ophiobolin T
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.
Pubmed ID:
23954177
String Representations
InChiKey (Click to copy)
MVOQGQWZPKEXTB-YGMUAOAQSA-N
InChi (Click to copy)
InChI=1S/C25H34O3/c1-15-12-21(27)23-17(14-26)6-7-20-18(8-11-25(20,5)13-19(15)23)16(2)22-9-10-24(3,4)28-22/h6,9-10,12,14,16,18-20,22-23H,7-8,11,13H2,1-5H3/b17-6-/t16-,18-,19-,20+,22?,23+,25-/m1/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)C3C=CC(C)(C)O3)[C@]1([H])CC=C2C=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
4
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
404.79
Topological Polar Surface Area
45.44
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
5.64
Molar Refractivity
111.73
Admin
Created at
23rd Oct 2020
Updated at
23rd Oct 2020