Structure Database (LMSD)
Common Name
Lentinellic acid
Systematic Name
Synonyms
3D model of Lentinellic acid
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
Lentinellus sp.
(#2488103)
Agaricomycetes
(#155619)
Lentinellic acid, a biologically active protoilludane derivative from Lentinellus species (Basidiomycetes).,
Z Naturforsch C J Biosci, 1988
Z Naturforsch C J Biosci, 1988
Pubmed ID:
3388954
String Representations
InChiKey (Click to copy)
JMNIXMWRRYDXON-MSNRECKUSA-N
InChi (Click to copy)
InChI=1S/C18H20O5/c1-17(2)5-10-11(6-17)18(3)7-12(19)13(18)8-4-9(15(20)21)16(22)23-14(8)10/h4,10-11,14H,5-7H2,1-3H3,(H,20,21)/t10-,11+,14-,18-/m1/s1
SMILES (Click to copy)
C12C=C(C(O[C@H]1[C@]1([H])CC(C)(C)C[C@]1([H])[C@@]1(C)CC(=O)C=21)=O)C(O)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
4
Aromatic Rings
Rotatable Bonds
1
Van der Waals Molecular Volume
301.27
Topological Polar Surface Area
82.74
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
2.55
Molar Refractivity
80.86
Admin
Created at
12th Nov 2024
Updated at
12th Nov 2024