Structure Database (LMSD)

O H H H H O O
Common Name
Ophiobolin T
Systematic Name
Synonyms
LM ID
LMPR0105050008
Formula
C25H34O3
Exact Mass
Calculate m/z
382.250795
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C25 isoprenoids (sesterterpenes) [PR0105]
Cheilanthane and ophiobolane sesterterpenoids [PR010505]

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

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

Other Databases

PubChem CID
73386897

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