Structure Database (LMSD)
Common Name
Olivetolic acid
Systematic Name
2,4-Dihydroxy-6-pentylbenzoic acid
Synonyms
- Olivetolcarboxylic acid
- Allazetolcarboxylic acid
3D model of Olivetolic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
SXFKFRRXJUJGSS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)
SMILES (Click to copy)
C1(O)C=C(CCCCC)C(C(O)=O)=C(O)C=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cladonia stellaris
(#174045)
Lecanoromycetes
(#147547)
Secondary metabolites of the lichen Cladonia stellaris,
Chemistry of Natural Compounds, 2012
Chemistry of Natural Compounds, 2012
Cannabis sativa
(#3483)
Magnoliopsida
(#3398)
Identification of olivetolic acid cyclase from Cannabis sativa reveals a unique catalytic route to plant polyketides.,
Proc Natl Acad Sci U S A, 2012
Proc Natl Acad Sci U S A, 2012
Pubmed ID:
22802619
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
1
Aromatic Rings
1
Rotatable Bonds
5
Van der Waals Molecular Volume
217.50
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
2.53
Molar Refractivity
59.96
Admin
Created at
2nd Feb 2022
Updated at
2nd Feb 2022