Structure Database (LMSD)
Common Name
Ophiobolin P
Systematic Name
Synonyms
3D model of Ophiobolin P
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)
KNMOPFLBPXTWRO-UERVZAPGSA-N
InChi (Click to copy)
InChI=1S/C25H36O4/c1-15(2)7-6-8-16(3)17-11-12-23(4)13-20-21-18(9-10-19(17)23)22(26)29-25(21,28)14-24(20,5)27/h6-9,16-17,19-21,27-28H,10-14H2,1-5H3/b8-6-,18-9+/t16-,17+,19-,20-,21-,23+,24+,25+/m0/s1
SMILES (Click to copy)
[C@]12([H])[C@]3(O)OC(=O)C1=CC[C@@]1([H])[C@@]([H])([C@@H](C)/C=C\C=C(/C)\C)CC[C@]1(C)C[C@]2([H])[C@@](O)(C)C3
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
416.22
Topological Polar Surface Area
68.83
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.10
Molar Refractivity
113.66
Admin
Created at
23rd Oct 2020
Updated at
23rd Oct 2020