LIPID MAPS

Structure Database (LMSD)

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Common Name

Ophiobolin P

Systematic Name

Synonyms

LM ID

LMPR0105050005

Formula

C₂₅H₃₆O₄

Exact Mass

Calculate m/z

400.26136

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

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

Pubmed ID: 23954177

DOI: 10.1016/j.fitote.2013.08.002

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

73388106

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