Structure Database (LMSD)

Common Name
Ophiobolin P
Systematic Name
Synonyms
LM ID
LMPR0105050005
Status
Active
Exact Mass
Calculate m/z
400.26136
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Reference
Ophiobolins P-T, five new cytotoxic and antibacterial sesterterpenes from the endolichenic fungus Ulocladium sp.
Fitoterapia, 2013
DOI: 10.1016/j.fitote.2013.08.002
PMID: 23954177

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

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

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Created at
23rd Oct 2020
Updated at
23rd Oct 2020