Structure database (LMSD)

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LM IDLMPR0105050006
Common NameOphiobolin Q
Systematic Name-
Synonyms-
Exact Mass
400.2614 (neutral)    Calculate m/z:
FormulaC25H36O4
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Cheilanthane and ophiobolane sesterterpenoids [PR010505]
PubChem CID73386894
InChIKeyZCYAUPOUCSSQGA-WBBAMFPJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
[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
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StatusActive
ReferencesOphiobolins 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
Calculated physicochemical properties (?):
 Heavy Atoms29Rings3Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
425.94Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.60Molar
Refractivity
115.08