Structure Database (LMSD)

Common Name
Drophiobiolin B
Systematic Name
Synonyms
LM ID
LMPR0105050003
Formula
C25H34O4
Exact Mass
Calculate m/z
398.24571
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bipolaris gigantea (#2695822)
Dothideomycetes (#147541)
Drophiobiolins A and B, Bioactive Ophiobolan Sestertepenoids Produced by Dreschslera gigantea.,
J Nat Prod, 2020
Pubmed ID: 33074690

String Representations

InChiKey (Click to copy)
VSGIUTNUGKJBMM-QUMYQEGPSA-N
InChi (Click to copy)
InChI=1S/C25H34O4/c1-14(2)8-17-10-16(4)25(29-17)7-6-24(5)12-18-15(3)9-21(28)23(18)19(13-26)20(27)11-22(24)25/h8-9,16-18,22,26H,6-7,10-13H2,1-5H3/b23-19+/t16-,17-,18+,22+,24+,25-/m0/s1
SMILES (Click to copy)
[C@@]12(O[C@H](C[C@@H]1C)/C=C(\C)/C)CC[C@]1(C)C[C@]3([H])C(C)=CC(=O)C3=C(CO)C(=O)C[C@@]21[H]

Other Databases

PubChem CID
162663672

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 413.58
Topological Polar Surface Area 65.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.19
Molar Refractivity 113.77

Admin

Created at
23rd Oct 2020
Updated at
30th Jul 2024