Structure Database (LMSD)

OH OH OH O O O
Common Name
Penipurdin A
Systematic Name
1,6-dihydroxy-3-[(2S)-2-hydroxypropyl]-8-methoxy-9,10-anthracenedione
Synonyms
LM ID
LMPK13040025
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Anthracenes and phenanthrenes [PK1304]

String Representations

InChiKey (Click to copy)
UDGPOMVMLXQVQR-QMMMGPOBSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-8(19)3-9-4-11-15(13(21)5-9)18(23)16-12(17(11)22)6-10(20)7-14(16)24-2/h4-8,19-21H,3H2,1-2H3/t8-/m0/s1
SMILES (Click to copy)
C12C(OC)=CC(O)=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

Other Databases

PubChem CID
163285971

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 292.70
Topological Polar Surface Area 104.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.09
Molar Refractivity 85.53

Admin

Created at
19th Apr 2021
Updated at
19th Apr 2021