Structure Database (LMSD)

Common Name
Chrysophanol
Systematic Name
Synonyms
LM ID
LMPK13040006
Formula
C15H10O4
Exact Mass
Calculate m/z
254.05791
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

String Representations

InChiKey (Click to copy)
LQGUBLBATBMXHT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
SMILES (Click to copy)
C12C=C(C=C(O)C=1C(=O)C1=C(C=CC=C1O)C2=O)C

Other Databases

KEGG ID
C10315
HMDB ID
HMDB0030670
CHEBI ID
3687
PubChem CID
10208
Cayman ID
19870

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 223.22
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.18
Molar Refractivity 67.82

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Updated at
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