Structure Database (LMSD)
Common Name
Penipurdin B
Systematic Name
1,8-dihydroxy-3-[(2S)-2-hydroxypropyl]-9,10-anthracenedione
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Penipurdin B
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)
BWUKBHJLHDIIAV-QMMMGPOBSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-8(18)5-9-6-11-15(13(20)7-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-4,6-8,18-20H,5H2,1H3/t8-/m0/s1
SMILES (Click to copy)
C12C(O)=CC=CC=1C(=O)C1=C(C(O)=CC(C[C@@H](O)C)=C1)C2=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Talaromyces purpureogenus
(#1266744)
Eurotiomycetes
(#147545)
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
22
Rings
3
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
266.61
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
2.08
Molar Refractivity
78.98
Admin
Created at
19th Apr 2021
Updated at
19th Apr 2021