Structure Database (LMSD)
Common Name
Pachybasin
Systematic Name
1-hydroxy-3-methyl-9,10-anthracenedione
Synonyms
3D model of Pachybasin
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)
AFHWNNJNTNLCQF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O3/c1-8-6-11-13(12(16)7-8)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3
SMILES (Click to copy)
C12C(O)=CC(C)=CC=1C(=O)C1=C(C=CC=C1)C2=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Arcangelisia flava
(#461553)
Magnoliopsida
(#3398)
Pachybasin, a Major Metabolite from Culture Broth of Endophytic Coelomyceteous AFKR-18 Fungus isolated from a Yellow Moonsheed Plant, Arcangelisia flava (L.) Merr.,
HAYATI J. Biosci., 2014
HAYATI J. Biosci., 2014
DOI:
10.4308/hjb.21.2.95
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
3
Aromatic Rings
2
Rotatable Bonds
0
Van der Waals Molecular Volume
214.43
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.48
Molar Refractivity
66.15
Admin
Created at
19th Apr 2021
Updated at
19th Apr 2021