Structure Database (LMSD)
Common Name
Drophiobiolin A
Systematic Name
Synonyms
3D model of Drophiobiolin A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
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
J Nat Prod, 2020
Pubmed ID:
33074690
String Representations
InChiKey (Click to copy)
ZZSQHMZBHOUTPQ-AZJRAAIXSA-N
InChi (Click to copy)
InChI=1S/C24H38O3/c1-16-14-20(25)18-9-6-10-21-23(5,15-19(16)18)12-13-24(21,27)17(2)8-7-11-22(3,4)26/h6,9,14,17-19,21,26-27H,7-8,10-13,15H2,1-5H3/b9-6-/t17-,18-,19+,21+,23+,24-/m0/s1
SMILES (Click to copy)
[C@]1(CC[C@]2(C)C[C@]3([H])C(C)=CC(=O)[C@@]3([H])C=CC[C@@]12[H])([C@@H](C)CCCC(O)(C)C)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
3
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
405.13
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.40
Molar Refractivity
110.24
Admin
Created at
23rd Oct 2020
Updated at
1st Feb 2021